CAS RN: 101248-32-2
CAS Name: 4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoic acid
OPENEYE Name: 4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoic acid
IUPAC Name: 4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoic acid
SYSTEMATIC NAME: 4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoic acid
MOLECULAR FORMULA: C19H16N4O3
MOLECULAR WEIGHT: 348.35534
SMILES: C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)N)C3=CC=C(C=C3)C(=O)O
Structure:
CAS RN: 101242-46-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H22N2O2
MOLECULAR WEIGHT: 310.39018
SMILES: CC[C@@]12CCCN3[C@@H]1C4=C(C(C3)O)C5=CC=CC=C5N4C(=O)C2
Structure:
CAS RN: 101204-88-0
CAS Name: 2-methyl-3-(1-piperidinylmethyl)-4-pyrido[2,3-d]pyrimidinone
OPENEYE Name: 2-methyl-3-(1-piperidylmethyl)pyrido[2,3-d]pyrimidin-4-one
IUPAC Name: 2-methyl-3-(piperidin-1-ylmethyl)pyrido[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-methyl-3-(piperidin-1-ylmethyl)pyrido[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C14H18N4O
MOLECULAR WEIGHT: 258.31892
SMILES: CC1=NC2=C(C=CC=N2)C(=O)N1CN3CCCCC3
Structure:
CAS RN: 101224-22-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H49NO10
MOLECULAR WEIGHT: 643.76426
SMILES: C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=CC(=CC(=C56)O4)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)CC8CC8)OC)(C(C)(C)C)O
Structure:
CAS RN: 101155-02-6
CAS Name: 9-[(2-fluorophenyl)methyl]-N-methyl-6-purinamine
OPENEYE Name: 9-[(2-fluorophenyl)methyl]-N-methyl-purin-6-amine
IUPAC Name: 9-[(2-fluorophenyl)methyl]-N-methylpurin-6-amine
SYSTEMATIC NAME: 9-[(2-fluorophenyl)methyl]-N-methyl-purin-6-amine
MOLECULAR FORMULA: C13H12FN5
MOLECULAR WEIGHT: 257.266283
SMILES: CNC1=NC=NC2=C1N=CN2CC3=CC=CC=C3F
Structure:
CAS RN: 101212-53-7
CAS Name: [(2R,3S,5R)-3-hydroxy-5-[6-(hydroxyamino)-9-purinyl]-2-oxolanyl]methyl [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
OPENEYE Name: [(2R,3S,5R)-3-hydroxy-5-[6-(hydroxyamino)purin-9-yl]tetrahydrofuran-2-yl]methyl [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
IUPAC Name: [(2R,3S,5R)-3-hydroxy-5-[6-(hydroxyamino)purin-9-yl]oxolan-2-yl]methyl [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,5R)-3-oxidanyl-5-[6-(oxidanylamino)purin-9-yl]oxolan-2-yl]methyl [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate
MOLECULAR FORMULA: C10H16N5O13P3
MOLECULAR WEIGHT: 507.181023
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3NO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
Structure:
CAS RN: 101212-50-4
CAS Name: [[(2R,3S,4R,5R)-5-(2,8-diamino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(2,8-diamino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(2,8-diamino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-[2,8-bis(azanyl)-6-oxidanylidene-3H-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H17N6O14P3
MOLECULAR WEIGHT: 538.195063
SMILES: C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)N=C(N3)N)N=C2N)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
Structure:
CAS RN: 101191-83-7
CAS Name: 4-[3-[5-[5-[6-[[anilino(oxo)methoxy]methyl]-6-hydroxy-3,5-dimethyl-2-oxanyl]-3-methyl-2-oxolanyl]-5-methyl-2-oxolanyl]-7-hydroxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-3-(1-oxopropoxy)pentanoic acid
OPENEYE Name: 4-[7-hydroxy-3-[5-[5-[6-hydroxy-3,5-dimethyl-6-(phenylcarbamoyloxymethyl)tetrahydropyran-2-yl]-3-methyl-tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-3-propanoyloxy-pentanoic acid
IUPAC Name: 4-[7-hydroxy-3-[5-[5-[6-hydroxy-3,5-dimethyl-6-(phenylcarbamoyloxymethyl)oxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-3-propanoyloxypentanoic acid
SYSTEMATIC NAME: 4-[3-[5-[5-[3,5-dimethyl-6-oxidanyl-6-(phenylcarbamoyloxymethyl)oxan-2-yl]-3-methyl-oxolan-2-yl]-5-methyl-oxolan-2-yl]-3,8-dimethyl-7-oxidanyl-4,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-3-propanoyloxy-pentanoic acid
MOLECULAR FORMULA: C44H67NO13
MOLECULAR WEIGHT: 818.00168
SMILES: CCC(=O)OC(C(C)C1C(C(CC2(O1)CCC(O2)(C)C3CCC(O3)(C)C4C(CC(O4)C5C(CC(C(O5)(COC(=O)NC6=CC=CC=C6)O)C)C)C)O)C)C(C)C(=O)O
Structure:
CAS RN: 101084-70-2
CAS Name: 1-hydroxy-4-pyridinethione
OPENEYE Name: 1-hydroxypyridine-4-thione
IUPAC Name: 1-hydroxypyridine-4-thione
SYSTEMATIC NAME: 1-oxidanylpyridine-4-thione
MOLECULAR FORMULA: C5H5NOS
MOLECULAR WEIGHT: 127.1643
SMILES: C1=CN(C=CC1=S)O
Structure:
CAS RN: 101189-47-3
CAS Name: 1-[4-(2-methyl-1H-imidazol-5-yl)-2-thiazolyl]-2-pentylguanidine
OPENEYE Name: 1-[4-(2-methyl-1H-imidazol-5-yl)thiazol-2-yl]-2-pentyl-guanidine
IUPAC Name: 1-[4-(2-methyl-1H-imidazol-5-yl)-1,3-thiazol-2-yl]-2-pentylguanidine
SYSTEMATIC NAME: 1-[4-(2-methyl-1H-imidazol-5-yl)-1,3-thiazol-2-yl]-2-pentyl-guanidine
MOLECULAR FORMULA: C13H20N6S
MOLECULAR WEIGHT: 292.4031
SMILES: CCCCCN=C(N)NC1=NC(=CS1)C2=CN=C(N2)C
Structure:
CAS RN: 101184-87-6
CAS Name: 2-[[2-hydroxy-3-(2-methyl-1-oxoprop-2-enoxy)propyl]-(phenylmethyl)amino]acetic acid
OPENEYE Name: 2-[benzyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]amino]acetic acid
IUPAC Name: 2-[benzyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[3-(2-methylprop-2-enoyloxy)-2-oxidanyl-propyl]-(phenylmethyl)amino]ethanoic acid
MOLECULAR FORMULA: C16H21NO5
MOLECULAR WEIGHT: 307.34164
SMILES: CC(=C)C(=O)OCC(CN(CC1=CC=CC=C1)CC(=O)O)O
Structure:
CAS RN: 101184-07-0
CAS Name: 4-ethyl-5-[[4-(2-methyl-1-imidazolyl)phenyl]-oxomethyl]-1,3-dihydroimidazol-2-one
OPENEYE Name: 4-ethyl-5-[4-(2-methylimidazol-1-yl)benzoyl]-1,3-dihydroimidazol-2-one
IUPAC Name: 4-ethyl-5-[4-(2-methylimidazol-1-yl)benzoyl]-1,3-dihydroimidazol-2-one
SYSTEMATIC NAME: 4-ethyl-5-[4-(2-methylimidazol-1-yl)phenyl]carbonyl-1,3-dihydroimidazol-2-one
MOLECULAR FORMULA: C16H16N4O2
MOLECULAR WEIGHT: 296.32384
SMILES: CCC1=C(NC(=O)N1)C(=O)C2=CC=C(C=C2)N3C=CN=C3C
Structure:
CAS RN: 101183-99-7
CAS Name: 4-ethyl-5-[[4-(1-imidazolyl)phenyl]-oxomethyl]-1,3-dihydroimidazol-2-one
OPENEYE Name: 4-ethyl-5-(4-imidazol-1-ylbenzoyl)-1,3-dihydroimidazol-2-one
IUPAC Name: 4-ethyl-5-(4-imidazol-1-ylbenzoyl)-1,3-dihydroimidazol-2-one
SYSTEMATIC NAME: 4-ethyl-5-(4-imidazol-1-ylphenyl)carbonyl-1,3-dihydroimidazol-2-one
MOLECULAR FORMULA: C15H14N4O2
MOLECULAR WEIGHT: 282.29726
SMILES: CCC1=C(NC(=O)N1)C(=O)C2=CC=C(C=C2)N3C=CN=C3
Structure:
CAS RN: 101144-24-5
CAS Name: (1S,2S,3R,6R)-6-[[(2S,3S,4S,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-3-oxanyl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
OPENEYE Name: (1S,2S,3R,6R)-6-[[(2S,3S,4S,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
IUPAC Name: (1S,2S,3R,6R)-6-[[(2S,3S,4S,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
SYSTEMATIC NAME: (1S,2S,3R,6R)-4-(hydroxymethyl)-6-[[(2S,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(oxidanyl)oxan-3-yl]amino]cyclohex-4-ene-1,2,3-triol
MOLECULAR FORMULA: C14H25NO9
MOLECULAR WEIGHT: 351.3496
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)N[C@@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O
Structure:
CAS RN: 101141-95-1
CAS Name: (2S)-2-amino-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid
OPENEYE Name: (2S)-2-amino-3-(3-hydroxy-4-phosphonooxy-phenyl)propanoic acid
IUPAC Name: (2S)-2-amino-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-(3-oxidanyl-4-phosphonooxy-phenyl)propanoic acid
MOLECULAR FORMULA: C9H12NO7P
MOLECULAR WEIGHT: 277.167841
SMILES: C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)OP(=O)(O)O
Structure:
CAS RN: 101071-43-6
CAS Name: 4-(methoxymethyl)-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-isopropoxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
IUPAC Name: ethyl 4-(methoxymethyl)-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate
SYSTEMATIC NAME: ethyl 4-(methoxymethyl)-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate
MOLECULAR FORMULA: C19H22N2O4
MOLECULAR WEIGHT: 342.38898
SMILES: CCOC(=O)C1=NC=C2C(=C1COC)C3=C(N2)C=CC=C3OC(C)C
Structure:
CAS RN: 100991-94-4
CAS Name: (2S)-4-[[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]amino]-2-amino-4-oxobutanoic acid
OPENEYE Name: (2S)-4-[[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]-2-amino-4-oxo-butanoic acid
IUPAC Name: (2S)-4-[[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-amino-4-oxobutanoic acid
SYSTEMATIC NAME: (2S)-4-[[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]amino]-2-azanyl-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C12H21N3O8
MOLECULAR WEIGHT: 335.31044
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1NC(=O)C[C@@H](C(=O)O)N)CO)O)O
Structure:
CAS RN: 151512-14-0
CAS Name: (2S)-2-amino-5-[[amino(nitroso)methylidene]amino]pentanoic acid
OPENEYE Name: (2S)-2-amino-5-[[amino(nitroso)methylene]amino]pentanoic acid
IUPAC Name: (2S)-2-amino-5-[[amino(nitroso)methylidene]amino]pentanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-5-[[azanyl(nitroso)methylidene]amino]pentanoic acid
MOLECULAR FORMULA: C6H12N4O3
MOLECULAR WEIGHT: 188.18448
SMILES: C(C[C@@H](C(=O)O)N)CN=C(N)N=O
Structure:
CAS RN: 151436-49-6
CAS Name: 2-amino-3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoic acid
OPENEYE Name: 2-amino-3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoic acid
IUPAC Name: 2-amino-3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-(2-oxidanylidene-1,3-dihydroimidazol-4-yl)propanoic acid
MOLECULAR FORMULA: C6H9N3O3
MOLECULAR WEIGHT: 171.15396
SMILES: C1=C(NC(=O)N1)CC(C(=O)O)N
Structure:
CAS RN: 101046-20-2
CAS Name: 1-[4-[6-(dimethylamino)-2-benzofuranyl]phenyl]pyrrole-2,5-dione
OPENEYE Name: 1-[4-[6-(dimethylamino)benzofuran-2-yl]phenyl]pyrrole-2,5-dione
IUPAC Name: 1-[4-[6-(dimethylamino)-1-benzofuran-2-yl]phenyl]pyrrole-2,5-dione
SYSTEMATIC NAME: 1-[4-[6-(dimethylamino)-1-benzofuran-2-yl]phenyl]pyrrole-2,5-dione
MOLECULAR FORMULA: C20H16N2O3
MOLECULAR WEIGHT: 332.35264
SMILES: CN(C)C1=CC2=C(C=C1)C=C(O2)C3=CC=C(C=C3)N4C(=O)C=CC4=O
Structure:
CAS RN: 151342-35-7
CAS Name: 3-[(8S)-8-[(dimethylamino)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methyl-3-indolyl)pyrrole-2,5-dione
OPENEYE Name: 3-[(8S)-8-[(dimethylamino)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
IUPAC Name: 3-[(8S)-8-[(dimethylamino)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SYSTEMATIC NAME: 3-[(8S)-8-[(dimethylamino)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
MOLECULAR FORMULA: C28H28N4O2
MOLECULAR WEIGHT: 452.54752
SMILES: CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5C[C@H](CCN5C6=CC=CC=C64)CN(C)C
Structure:
CAS RN: 151330-10-8
CAS Name: (3aS,9bR)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinoline dihydrobromide
OPENEYE Name: (3aS,9bR)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinoline dihydrobromide
IUPAC Name: (3aS,9bR)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinoline dihydrobromide
SYSTEMATIC NAME: (3aS,9bR)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinoline dihydrobromide
MOLECULAR FORMULA: C12H18Br2N2
MOLECULAR WEIGHT: 350.09272
SMILES: CN1CC[C@H]2[C@@H]1C3=C(CC2)C=CN=C3.Br.Br
Structure:
CAS RN: 151291-89-3
CAS Name: 2-amino-3-arsonopropanoic acid
OPENEYE Name: 2-amino-3-arsono-propanoic acid
IUPAC Name: 2-amino-3-arsonopropanoic acid
SYSTEMATIC NAME: 3-arsono-2-azanyl-propanoic acid
MOLECULAR FORMULA: C3H8AsNO5
MOLECULAR WEIGHT: 213.02092
SMILES: C(C(C(=O)O)N)[As](=O)(O)O
Structure:
CAS RN: 101027-54-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H26ClN3O5
MOLECULAR WEIGHT: 495.95474
SMILES: C1CC2=C3C(=C4C(=C2)C(=C5C=C6CCC[N+]7=C6C(=C5O4)CCC7)C#N)CCCN3C1.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 101023-73-8
CAS Name: 6-(3-methylbut-2-enyl)-1H-indole-2,3-dione
OPENEYE Name: 6-(3-methylbut-2-enyl)indoline-2,3-dione
IUPAC Name: 6-(3-methylbut-2-enyl)-1H-indole-2,3-dione
SYSTEMATIC NAME: 6-(3-methylbut-2-enyl)-1H-indole-2,3-dione
MOLECULAR FORMULA: C13H13NO2
MOLECULAR WEIGHT: 215.24782
SMILES: CC(=CCC1=CC2=C(C=C1)C(=O)C(=O)N2)C
Structure:
CAS RN: 101022-73-5
CAS Name: 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylphenol
OPENEYE Name: 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methyl-phenol
IUPAC Name: 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylphenol
SYSTEMATIC NAME: 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methyl-phenol
MOLECULAR FORMULA: C11H14N2O
MOLECULAR WEIGHT: 190.24166
SMILES: CC1=C(C=CC=C1O)NC2=NCCC2
Structure:
CAS RN: 101020-89-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H20O5
MOLECULAR WEIGHT: 280.3163
SMILES: C[C@@H]1CCC2C(=C)C(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C
Structure:
CAS RN: 151062-28-1
CAS Name: (1S,2R,3S,4S,5R,6S)-4-amino-6-methoxycyclohexane-1,2,3,5-tetrol
OPENEYE Name: (1S,2R,3S,4S,5R,6S)-4-amino-6-methoxy-cyclohexane-1,2,3,5-tetrol
IUPAC Name: (1S,2R,3S,4S,5R,6S)-4-amino-6-methoxycyclohexane-1,2,3,5-tetrol
SYSTEMATIC NAME: (1S,2R,3S,4S,5R,6S)-4-azanyl-6-methoxy-cyclohexane-1,2,3,5-tetrol
MOLECULAR FORMULA: C7H15NO5
MOLECULAR WEIGHT: 193.1977
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)N)O
Structure:
CAS RN: 101020-62-6
CAS Name: 1-(methylthio)-2,3-dihydro-1H-inden-2-ol
OPENEYE Name: 1-methylsulfanylindan-2-ol
IUPAC Name: 1-methylsulfanyl-2,3-dihydro-1H-inden-2-ol
SYSTEMATIC NAME: 1-methylsulfanyl-2,3-dihydro-1H-inden-2-ol
MOLECULAR FORMULA: C10H12OS
MOLECULAR WEIGHT: 180.26668
SMILES: CSC1C(CC2=CC=CC=C12)O
Structure:
CAS RN: 150956-52-8
CAS Name: (2S)-3-(4-hydroxy-3-iodanylphenyl)-2-[(2-iodo-1-oxoethyl)amino]propanoic acid
OPENEYE Name: (2S)-3-(4-hydroxy-3-iodanyl-phenyl)-2-[(2-iodoacetyl)amino]propanoic acid
IUPAC Name: (2S)-3-(4-hydroxy-3-iodanylphenyl)-2-[(2-iodoacetyl)amino]propanoic acid
SYSTEMATIC NAME: (2S)-2-(2-iodanylethanoylamino)-3-(3-iodanyl-4-oxidanyl-phenyl)propanoic acid
MOLECULAR FORMULA: C11H11I2NO4
MOLECULAR WEIGHT: 473.018434
SMILES: C1=CC(=C(C=C1C[C@@H](C(=O)O)NC(=O)CI)[125I])O
Structure:
CAS RN: 150869-74-2
CAS Name: 1-(3,4-dichlorophenyl)-3-(2,3-dihydrobenzofuran-5-ylsulfonyl)urea
OPENEYE Name: 1-(3,4-dichlorophenyl)-3-(2,3-dihydrobenzofuran-5-ylsulfonyl)urea
IUPAC Name: 1-(3,4-dichlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)urea
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)urea
MOLECULAR FORMULA: C15H12Cl2N2O4S
MOLECULAR WEIGHT: 387.23778
SMILES: C1COC2=C1C=C(C=C2)S(=O)(=O)NC(=O)NC3=CC(=C(C=C3)Cl)Cl
Structure:
CAS RN: 101001-72-3
CAS Name: 2-[2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-1-pyrrolyl]acetic acid
OPENEYE Name: 2-[2-[4,5-bis(4-methoxyphenyl)thiazol-2-yl]pyrrol-1-yl]acetic acid
IUPAC Name: 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetic acid
SYSTEMATIC NAME: 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanoic acid
MOLECULAR FORMULA: C23H20N2O4S
MOLECULAR WEIGHT: 420.4809
SMILES: COC1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CN3CC(=O)O)C4=CC=C(C=C4)OC
Structure:
CAS RN: 150829-94-0
CAS Name: 1,3,8,11-tetrahydroxy-10-(4-hydroxy-2-oxopentyl)-2-methyltetracene-5,12-dione
OPENEYE Name: 1,3,8,11-tetrahydroxy-10-(4-hydroxy-2-oxo-pentyl)-2-methyl-tetracene-5,12-dione
IUPAC Name: 1,3,8,11-tetrahydroxy-10-(4-hydroxy-2-oxopentyl)-2-methyltetracene-5,12-dione
SYSTEMATIC NAME: 2-methyl-1,3,8,11-tetrakis(oxidanyl)-10-(4-oxidanyl-2-oxidanylidene-pentyl)tetracene-5,12-dione
MOLECULAR FORMULA: C24H20O8
MOLECULAR WEIGHT: 436.4108
SMILES: CC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C4C=C(C=C(C4=C3O)CC(=O)CC(C)O)O)O
Structure:
CAS RN: 100997-69-1
CAS Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-(methylhydrazo)-2-pyrimidinone
OPENEYE Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-(2-methylhydrazino)pyrimidin-2-one
IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(2-methylhydrazinyl)pyrimidin-2-one
SYSTEMATIC NAME: 1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-(2-methylhydrazinyl)pyrimidin-2-one
MOLECULAR FORMULA: C10H16N4O5
MOLECULAR WEIGHT: 272.25784
SMILES: CNNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
Structure:
CAS RN: 100994-43-2
CAS Name: N-[1-[[3-hydroxy-5-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]-1-(2-naphthalenyl)-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[1-[[2-hydroxy-4-[[2-(isopentylamino)-1-methyl-2-oxo-ethyl]amino]-1-(2-naphthylmethyl)-4-oxo-butyl]carbamoyl]-2-methyl-propyl]carbamate
IUPAC Name: tert-butyl N-[1-[[3-hydroxy-5-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]-1-naphthalen-2-yl-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[3-methyl-1-[[5-[[1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]amino]-1-naphthalen-2-yl-3-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate
MOLECULAR FORMULA: C33H50N4O6
MOLECULAR WEIGHT: 598.7733
SMILES: CC(C)CCNC(=O)C(C)NC(=O)CC(C(CC1=CC2=CC=CC=C2C=C1)NC(=O)C(C(C)C)NC(=O)OC(C)(C)C)O
Structure:
CAS RN: 100965-46-6
CAS Name: 1,3-dichloro-5,5-diphenylimidazolidine-2,4-dione
OPENEYE Name: 1,3-dichloro-5,5-diphenyl-imidazolidine-2,4-dione
IUPAC Name: 1,3-dichloro-5,5-diphenylimidazolidine-2,4-dione
SYSTEMATIC NAME: 1,3-bis(chloranyl)-5,5-diphenyl-imidazolidine-2,4-dione
MOLECULAR FORMULA: C15H10Cl2N2O2
MOLECULAR WEIGHT: 321.1581
SMILES: C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2Cl)Cl)C3=CC=CC=C3
Structure:
CAS RN: 150527-35-8
CAS Name: 2-[4-[4-(3-fluorophenyl)-4-(4-fluorophenyl)butyl]-1-piperazinyl]-3-pyridinecarboxylic acid methyl ester hydrochloride
OPENEYE Name: methyl 2-[4-[4-(3-fluorophenyl)-4-(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate hydrochloride
IUPAC Name: methyl 2-[4-[4-(3-fluorophenyl)-4-(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate hydrochloride
SYSTEMATIC NAME: methyl 2-[4-[4-(3-fluorophenyl)-4-(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate hydrochloride
MOLECULAR FORMULA: C27H30ClF2N3O2
MOLECULAR WEIGHT: 501.995806
SMILES: COC(=O)C1=C(N=CC=C1)N2CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC(=CC=C4)F.Cl
Structure:
CAS RN: 150527-23-4
CAS Name: 2-[4-[4,4-bis(4-fluorophenyl)butyl]-1-piperazinyl]-3-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate
IUPAC Name: methyl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate
SYSTEMATIC NAME: methyl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate
MOLECULAR FORMULA: C27H29F2N3O2
MOLECULAR WEIGHT: 465.534866
SMILES: COC(=O)C1=C(N=CC=C1)N2CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
Structure:
CAS RN: 100993-69-9
CAS Name: 3-bis(2-chloroethylamino)phosphoryloxy-1-phenyl-1-propanone
OPENEYE Name: 3-bis(2-chloroethylamino)phosphoryloxy-1-phenyl-propan-1-one
IUPAC Name: 3-bis(2-chloroethylamino)phosphoryloxy-1-phenylpropan-1-one
SYSTEMATIC NAME: 3-bis(2-chloroethylamino)phosphoryloxy-1-phenyl-propan-1-one
MOLECULAR FORMULA: C13H19Cl2N2O3P
MOLECULAR WEIGHT: 353.181321
SMILES: C1=CC=C(C=C1)C(=O)CCOP(=O)(NCCCl)NCCCl
Structure:
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