CAS RN: 117626-81-0
CAS Name: 2-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]acetic acid
OPENEYE Name: 2-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]acetic acid
IUPAC Name: 2-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
SYSTEMATIC NAME: 2-[[(2R,3S,5R)-5-[5-ethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoic acid
MOLECULAR FORMULA: C13H19N2O9P
MOLECULAR WEIGHT: 378.271721
SMILES: CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CC(=O)O)O)O
Structure:
CAS RN: 117627-30-2
CAS Name: 2-[[(2R,3S,5R)-5-(5-ethenyl-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]acetic acid
OPENEYE Name: 2-[[(2R,3S,5R)-5-(2,4-dioxo-5-vinyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]acetic acid
IUPAC Name: 2-[[(2R,3S,5R)-5-(5-ethenyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
SYSTEMATIC NAME: 2-[[(2R,3S,5R)-5-[5-ethenyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoic acid
MOLECULAR FORMULA: C13H17N2O9P
MOLECULAR WEIGHT: 376.255841
SMILES: C=CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CC(=O)O)O)O
Structure:
CAS RN: 117626-80-9
CAS Name: 2-[[(2R,3S,5R)-5-(5-ethenyl-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]acetic acid
OPENEYE Name: 2-[[(2R,3S,5R)-5-(2,4-dioxo-5-vinyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]acetic acid
IUPAC Name: 2-[[(2R,3S,5R)-5-(5-ethenyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
SYSTEMATIC NAME: 2-[[(2R,3S,5R)-5-[5-ethenyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoic acid
MOLECULAR FORMULA: C13H17N2O9P
MOLECULAR WEIGHT: 376.255841
SMILES: C=CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CC(=O)O)O)O
Structure:
CAS RN: 117652-19-4
CAS Name: 2-[[(2R,3S,5R)-5-(5-ethynyl-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]acetic acid
OPENEYE Name: 2-[[(2R,3S,5R)-5-(5-ethynyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]acetic acid
IUPAC Name: 2-[[(2R,3S,5R)-5-(5-ethynyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
SYSTEMATIC NAME: 2-[[(2R,3S,5R)-5-[5-ethynyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoic acid
MOLECULAR FORMULA: C13H15N2O9P
MOLECULAR WEIGHT: 374.239961
SMILES: C#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CC(=O)O)O)O
Structure:
CAS RN: 117627-05-1
CAS Name: 2-[[(2R,3S,5R)-5-(5-ethynyl-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]acetic acid
OPENEYE Name: 2-[[(2R,3S,5R)-5-(5-ethynyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]acetic acid
IUPAC Name: 2-[[(2R,3S,5R)-5-(5-ethynyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
SYSTEMATIC NAME: 2-[[(2R,3S,5R)-5-[5-ethynyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoic acid
MOLECULAR FORMULA: C13H15N2O9P
MOLECULAR WEIGHT: 374.239961
SMILES: C#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CC(=O)O)O)O
Structure:
CAS RN: 117627-11-9
CAS Name: [[(2R,3S,5R)-5-(5-bromo-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]formic acid
OPENEYE Name: [[(2R,3S,5R)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]formic acid
IUPAC Name: [[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]formic acid
SYSTEMATIC NAME: [[(2R,3S,5R)-5-[5-bromanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methanoic acid
MOLECULAR FORMULA: C10H12BrN2O9P
MOLECULAR WEIGHT: 415.088041
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(C(=O)O)O)O
Structure:
CAS RN: 117652-20-7
CAS Name: [[(2R,3S,5R)-5-(5-bromo-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]formic acid
OPENEYE Name: [[(2R,3S,5R)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]formic acid
IUPAC Name: [[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]formic acid
SYSTEMATIC NAME: [[(2R,3S,5R)-5-[5-bromanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methanoic acid
MOLECULAR FORMULA: C10H12BrN2O9P
MOLECULAR WEIGHT: 415.088041
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(C(=O)O)O)O
Structure:
CAS RN: 117627-08-4
CAS Name: [2-[[(2R,3S,5R)-5-(5-bromo-2,4-dioxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-oxolanyl]oxy]-2-oxoethyl]phosphonic acid
OPENEYE Name: [2-[(2R,3S,5R)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-2-oxo-ethyl]phosphonic acid
IUPAC Name: [2-[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-2-oxoethyl]phosphonic acid
SYSTEMATIC NAME: [2-[(2R,3S,5R)-5-[5-bromanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl]oxy-2-oxidanylidene-ethyl]phosphonic acid
MOLECULAR FORMULA: C11H14BrN2O9P
MOLECULAR WEIGHT: 429.114621
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)CO)OC(=O)CP(=O)(O)O
Structure:
CAS RN: 117627-07-3
CAS Name: [2-[[(2R,3S,5R)-5-(5-bromo-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy]-2-oxoethyl]phosphonic acid
OPENEYE Name: [2-[[(2R,3S,5R)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy]-2-oxo-ethyl]phosphonic acid
IUPAC Name: [2-[[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]-2-oxoethyl]phosphonic acid
SYSTEMATIC NAME: [2-[[(2R,3S,5R)-5-[5-bromanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]-2-oxidanylidene-ethyl]phosphonic acid
MOLECULAR FORMULA: C11H14BrN2O9P
MOLECULAR WEIGHT: 429.114621
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COC(=O)CP(=O)(O)O)O
Structure:
CAS RN: 107811-78-9
CAS Name: 2-[[(2R,3S,5R)-5-(5-bromo-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]acetic acid
OPENEYE Name: 2-[[(2R,3S,5R)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]acetic acid
IUPAC Name: 2-[[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
SYSTEMATIC NAME: 2-[[(2R,3S,5R)-5-[5-bromanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoic acid
MOLECULAR FORMULA: C11H14BrN2O9P
MOLECULAR WEIGHT: 429.114621
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(CC(=O)O)O)O
Structure:
CAS RN: 117627-25-5
CAS Name: 2-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy]phosphoryl]acetic acid
OPENEYE Name: 2-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]acetic acid
IUPAC Name: 2-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]acetic acid
SYSTEMATIC NAME: 2-[[(2R,3S,5R)-5-[5-iodanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoic acid
MOLECULAR FORMULA: C11H14IN2O9P
MOLECULAR WEIGHT: 476.115091
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)COP(=O)(CC(=O)O)O)O
Structure:
CAS RN: 117627-24-4
CAS Name: 2-[[(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]acetic acid
OPENEYE Name: 2-[[(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]acetic acid
IUPAC Name: 2-[[(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
SYSTEMATIC NAME: 2-[[(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoic acid
MOLECULAR FORMULA: C12H16N5O8P
MOLECULAR WEIGHT: 389.257901
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(CC(=O)O)O)O)O
Structure:
CAS RN: 117627-23-3
CAS Name: 2-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]acetic acid
OPENEYE Name: 2-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]acetic acid
IUPAC Name: 2-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
SYSTEMATIC NAME: 2-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoic acid
MOLECULAR FORMULA: C12H16N5O7P
MOLECULAR WEIGHT: 373.258501
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)COP(=O)(CC(=O)O)O)O
Structure:
CAS RN: 117627-22-2
CAS Name: 2-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy]phosphoryl]acetic acid
OPENEYE Name: 2-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]acetic acid
IUPAC Name: 2-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]acetic acid
SYSTEMATIC NAME: 2-[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoic acid
MOLECULAR FORMULA: C12H17N2O9P
MOLECULAR WEIGHT: 364.245141
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CC(=O)O)O)O
Structure:
CAS RN: 117627-21-1
CAS Name: 2-[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]acetic acid
OPENEYE Name: 2-[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]acetic acid
IUPAC Name: 2-[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
SYSTEMATIC NAME: 2-[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoic acid
MOLECULAR FORMULA: C12H16N5O9P
MOLECULAR WEIGHT: 405.257301
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CC(=O)O)O)O)O)NC(=NC2=O)N
Structure:
CAS RN: 19314-10-4
CAS Name: 3-chloro-N-(4-hydroxyphenyl)propanamide
OPENEYE Name: 3-chloro-N-(4-hydroxyphenyl)propanamide
IUPAC Name: 3-chloro-N-(4-hydroxyphenyl)propanamide
SYSTEMATIC NAME: 3-chloranyl-N-(4-hydroxyphenyl)propanamide
MOLECULAR FORMULA: C9H10ClNO2
MOLECULAR WEIGHT: 199.6342
SMILES: C1=CC(=CC=C1NC(=O)CCCl)O
Structure:
CAS RN: 80866-86-0
CAS Name: 2-[[4-(3-carboxypropyl)phenyl]-oxomethyl]benzoic acid
OPENEYE Name: 2-[4-(3-carboxypropyl)benzoyl]benzoic acid
IUPAC Name: 2-[4-(3-carboxypropyl)benzoyl]benzoic acid
SYSTEMATIC NAME: 2-[4-(4-oxidanyl-4-oxidanylidene-butyl)phenyl]carbonylbenzoic acid
MOLECULAR FORMULA: C18H16O5
MOLECULAR WEIGHT: 312.31664
SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)CCCC(=O)O)C(=O)O
Structure:
CAS RN: 62129-53-7
CAS Name: (2S)-3-(4-hydroxy-3,5-diiodophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid
OPENEYE Name: (2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxy-3,5-diiodo-phenyl)propanoic acid
IUPAC Name: (2S)-3-(4-hydroxy-3,5-diiodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SYSTEMATIC NAME: (2S)-3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
MOLECULAR FORMULA: C14H17I2NO5
MOLECULAR WEIGHT: 533.09742
SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O
Structure:
CAS RN: 214630-08-7
CAS Name: (2R)-3-(4-hydroxy-3,5-diiodophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid
OPENEYE Name: (2R)-2-(tert-butoxycarbonylamino)-3-(4-hydroxy-3,5-diiodo-phenyl)propanoic acid
IUPAC Name: (2R)-3-(4-hydroxy-3,5-diiodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SYSTEMATIC NAME: (2R)-3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
MOLECULAR FORMULA: C14H17I2NO5
MOLECULAR WEIGHT: 533.09742
SMILES: CC(C)(C)OC(=O)N[C@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O
Structure:
CAS RN: 333796-43-3
CAS Name: 3-(4-chlorophenyl)-1-[3-[4-[[4-(4-morpholinylsulfonyl)phenyl]methyl]-1-piperidinyl]propyl]-1-phenylurea
OPENEYE Name: 3-(4-chlorophenyl)-1-[3-[4-[(4-morpholinosulfonylphenyl)methyl]-1-piperidyl]propyl]-1-phenyl-urea
IUPAC Name: 3-(4-chlorophenyl)-1-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-1-phenylurea
SYSTEMATIC NAME: 3-(4-chlorophenyl)-1-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-1-phenyl-urea
MOLECULAR FORMULA: C32H39ClN4O4S
MOLECULAR WEIGHT: 611.19446
SMILES: C1CN(CCC1CC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CCCN(C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)Cl
Structure:
CAS RN: 333795-25-8
CAS Name: 3-(4-chlorophenyl)-1-(4-methylphenyl)-1-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]urea
OPENEYE Name: 1-[3-(4-benzyl-1-piperidyl)propyl]-3-(4-chlorophenyl)-1-(p-tolyl)urea
IUPAC Name: 1-[3-(4-benzylpiperidin-1-yl)propyl]-3-(4-chlorophenyl)-1-(4-methylphenyl)urea
SYSTEMATIC NAME: 3-(4-chlorophenyl)-1-(4-methylphenyl)-1-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]urea
MOLECULAR FORMULA: C29H34ClN3O
MOLECULAR WEIGHT: 476.05276
SMILES: CC1=CC=C(C=C1)N(CCCN2CCC(CC2)CC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Cl
Structure:
CAS RN: 333795-22-5
CAS Name: 1-phenyl-1-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]-3-propylurea
OPENEYE Name: 1-[3-(4-benzyl-1-piperidyl)propyl]-1-phenyl-3-propyl-urea
IUPAC Name: 1-[3-(4-benzylpiperidin-1-yl)propyl]-1-phenyl-3-propylurea
SYSTEMATIC NAME: 1-phenyl-1-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]-3-propyl-urea
MOLECULAR FORMULA: C25H35N3O
MOLECULAR WEIGHT: 393.5649
SMILES: CCCNC(=O)N(CCCN1CCC(CC1)CC2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 333795-14-5
CAS Name: 1,3-diphenyl-1-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]urea
OPENEYE Name: 1-[3-(4-benzyl-1-piperidyl)propyl]-1,3-diphenyl-urea
IUPAC Name: 1-[3-(4-benzylpiperidin-1-yl)propyl]-1,3-diphenylurea
SYSTEMATIC NAME: 1,3-diphenyl-1-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]urea
MOLECULAR FORMULA: C28H33N3O
MOLECULAR WEIGHT: 427.58112
SMILES: C1CN(CCC1CC2=CC=CC=C2)CCCN(C3=CC=CC=C3)C(=O)NC4=CC=CC=C4
Structure:
CAS RN: 215303-72-3
CAS Name: 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-pyridin-4-yl-2-imidazolyl]-3-butyn-1-ol
OPENEYE Name: 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridyl)imidazol-2-yl]but-3-yn-1-ol
IUPAC Name: 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-pyridin-4-ylimidazol-2-yl]but-3-yn-1-ol
SYSTEMATIC NAME: 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-pyridin-4-yl-imidazol-2-yl]but-3-yn-1-ol
MOLECULAR FORMULA: C27H24FN3O
MOLECULAR WEIGHT: 425.497363
SMILES: C1=CC=C(C=C1)CCCN2C(=NC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)F)C#CCCO
Structure:
CAS RN: 149022-18-4
CAS Name: N-[(1R,2R)-1-hydroxy-3-(4-morpholinyl)-1-phenylpropan-2-yl]hexadecanamide
OPENEYE Name: N-[(1R,2R)-2-hydroxy-1-(morpholinomethyl)-2-phenyl-ethyl]hexadecanamide
IUPAC Name: N-[(1R,2R)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]hexadecanamide
SYSTEMATIC NAME: N-[(1R,2R)-3-morpholin-4-yl-1-oxidanyl-1-phenyl-propan-2-yl]hexadecanamide
MOLECULAR FORMULA: C29H50N2O3
MOLECULAR WEIGHT: 474.7189
SMILES: CCCCCCCCCCCCCCCC(=O)N[C@H](CN1CCOCC1)[C@@H](C2=CC=CC=C2)O
Structure:
CAS RN: 89889-87-2
CAS Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-[(4-methoxyphenyl)methyl]-3-methyl-7-pyrazolo[4,3-d]pyrimidinone
OPENEYE Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-[(4-methoxyphenyl)methyl]-3-methyl-pyrazolo[4,3-d]pyrimidin-7-one
IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[4,3-d]pyrimidin-7-one
SYSTEMATIC NAME: 1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-[(4-methoxyphenyl)methyl]-3-methyl-pyrazolo[4,3-d]pyrimidin-7-one
MOLECULAR FORMULA: C19H22N4O6
MOLECULAR WEIGHT: 402.40118
SMILES: CC1=NN(C2=C1N=CN(C2=O)CC3=CC=C(C=C3)OC)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
Structure:
CAS RN: 89889-86-1
CAS Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3-methyl-6-(2-phenylethyl)-7-pyrazolo[4,3-d]pyrimidinone
OPENEYE Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-methyl-6-(2-phenylethyl)pyrazolo[4,3-d]pyrimidin-7-one
IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-6-(2-phenylethyl)pyrazolo[4,3-d]pyrimidin-7-one
SYSTEMATIC NAME: 1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3-methyl-6-(2-phenylethyl)pyrazolo[4,3-d]pyrimidin-7-one
MOLECULAR FORMULA: C19H22N4O5
MOLECULAR WEIGHT: 386.40178
SMILES: CC1=NN(C2=C1N=CN(C2=O)CCC3=CC=CC=C3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
Structure:
CAS RN: 89889-84-9
CAS Name: 6-butyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3-methyl-7-pyrazolo[4,3-d]pyrimidinone
OPENEYE Name: 6-butyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-methyl-pyrazolo[4,3-d]pyrimidin-7-one
IUPAC Name: 6-butyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpyrazolo[4,3-d]pyrimidin-7-one
SYSTEMATIC NAME: 6-butyl-1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3-methyl-pyrazolo[4,3-d]pyrimidin-7-one
MOLECULAR FORMULA: C15H22N4O5
MOLECULAR WEIGHT: 338.35898
SMILES: CCCCN1C=NC2=C(C1=O)N(N=C2C)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
Structure:
CAS RN: 89889-83-8
CAS Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3-methyl-6-(phenylmethyl)-7-pyrazolo[4,3-d]pyrimidinone
OPENEYE Name: 6-benzyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-methyl-pyrazolo[4,3-d]pyrimidin-7-one
IUPAC Name: 6-benzyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpyrazolo[4,3-d]pyrimidin-7-one
SYSTEMATIC NAME: 1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3-methyl-6-(phenylmethyl)pyrazolo[4,3-d]pyrimidin-7-one
MOLECULAR FORMULA: C18H20N4O5
MOLECULAR WEIGHT: 372.3752
SMILES: CC1=NN(C2=C1N=CN(C2=O)CC3=CC=CC=C3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
Structure:
CAS RN: 89889-82-7
CAS Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3-methyl-6-(4-methylphenyl)-7-pyrazolo[4,3-d]pyrimidinone
OPENEYE Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-methyl-6-(p-tolyl)pyrazolo[4,3-d]pyrimidin-7-one
IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-6-(4-methylphenyl)pyrazolo[4,3-d]pyrimidin-7-one
SYSTEMATIC NAME: 1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3-methyl-6-(4-methylphenyl)pyrazolo[4,3-d]pyrimidin-7-one
MOLECULAR FORMULA: C18H20N4O5
MOLECULAR WEIGHT: 372.3752
SMILES: CC1=CC=C(C=C1)N2C=NC3=C(C2=O)N(N=C3C)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
Structure:
CAS RN: 89889-81-6
CAS Name: 6-[(4-chlorophenyl)methyl]-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3-methyl-7-pyrazolo[4,3-d]pyrimidinone
OPENEYE Name: 6-[(4-chlorophenyl)methyl]-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-methyl-pyrazolo[4,3-d]pyrimidin-7-one
IUPAC Name: 6-[(4-chlorophenyl)methyl]-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpyrazolo[4,3-d]pyrimidin-7-one
SYSTEMATIC NAME: 6-[(4-chlorophenyl)methyl]-1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3-methyl-pyrazolo[4,3-d]pyrimidin-7-one
MOLECULAR FORMULA: C18H19ClN4O5
MOLECULAR WEIGHT: 406.82026
SMILES: CC1=NN(C2=C1N=CN(C2=O)CC3=CC=C(C=C3)Cl)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
Structure:
CAS RN: 89889-80-5
CAS Name: 6-(4-chlorophenyl)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3-methyl-7-pyrazolo[4,3-d]pyrimidinone
OPENEYE Name: 6-(4-chlorophenyl)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-methyl-pyrazolo[4,3-d]pyrimidin-7-one
IUPAC Name: 6-(4-chlorophenyl)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpyrazolo[4,3-d]pyrimidin-7-one
SYSTEMATIC NAME: 6-(4-chlorophenyl)-1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3-methyl-pyrazolo[4,3-d]pyrimidin-7-one
MOLECULAR FORMULA: C17H17ClN4O5
MOLECULAR WEIGHT: 392.79368
SMILES: CC1=NN(C2=C1N=CN(C2=O)C3=CC=C(C=C3)Cl)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
Structure:
CAS RN: 87970-07-8
CAS Name: pentanoic acid [(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] ester
OPENEYE Name: [(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] pentanoate
IUPAC Name: [(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] pentanoate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] pentanoate
MOLECULAR FORMULA: C15H21N5O5
MOLECULAR WEIGHT: 351.35774
SMILES: CCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)CO)O
Structure:
CAS RN: 87970-06-7
CAS Name: butanoic acid [(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] ester
OPENEYE Name: [(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] butanoate
IUPAC Name: [(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] butanoate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] butanoate
MOLECULAR FORMULA: C14H19N5O5
MOLECULAR WEIGHT: 337.33116
SMILES: CCCC(=O)O[C@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)CO)O
Structure:
CAS RN: 65174-99-4
CAS Name: propanoic acid [(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] ester
OPENEYE Name: [(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] propanoate
IUPAC Name: [(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] propanoate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] propanoate
MOLECULAR FORMULA: C13H17N5O5
MOLECULAR WEIGHT: 323.30458
SMILES: CCC(=O)O[C@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)CO)O
Structure:
CAS RN: 65174-95-0
CAS Name: acetic acid [(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] ester
OPENEYE Name: [(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] acetate
IUPAC Name: [(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] acetate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] ethanoate
MOLECULAR FORMULA: C12H15N5O5
MOLECULAR WEIGHT: 309.278
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)CO)O
Structure:
CAS RN: 105582-76-1
CAS Name: 4-amino-7-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-pyrrolo[2,3-d]pyrimidinecarbonitrile
OPENEYE Name: 4-amino-7-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
IUPAC Name: 4-amino-7-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SYSTEMATIC NAME: 4-azanyl-7-[(2R,3R,5S)-5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C12H13N5O3
MOLECULAR WEIGHT: 275.26332
SMILES: C1[C@H](O[C@H]([C@@H]1O)N2C=C(C3=C2N=CN=C3N)C#N)CO
Structure:
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