CAS RN: 96733-51-6
CAS Name: 2-(2,6-dichlorophenyl)-3-(2-pyrimidinyl)-4-thiazolidinone
OPENEYE Name: 2-(2,6-dichlorophenyl)-3-pyrimidin-2-yl-thiazolidin-4-one
IUPAC Name: 2-(2,6-dichlorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 2-[2,6-bis(chloranyl)phenyl]-3-pyrimidin-2-yl-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C13H9Cl2N3OS
MOLECULAR WEIGHT: 326.20106
SMILES: C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)C3=NC=CC=N3
Structure:
CAS RN: 126055-15-0
CAS Name: 3-hydroxy-2-methyl-1-prop-2-enyl-4-pyridinone
OPENEYE Name: 1-allyl-3-hydroxy-2-methyl-pyridin-4-one
IUPAC Name: 3-hydroxy-2-methyl-1-prop-2-enylpyridin-4-one
SYSTEMATIC NAME: 2-methyl-3-oxidanyl-1-prop-2-enyl-pyridin-4-one
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: CC1=C(C(=O)C=CN1CC=C)O
Structure:
CAS RN: 443642-29-3
CAS Name: (2R,3R,4R,5R)-2-(4-amino-7-pyrrolo[2,3-d]pyrimidinyl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
OPENEYE Name: (2R,3R,4R,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3R,4R,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
SYSTEMATIC NAME: (2R,3R,4R,5R)-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyl-oxolane-3,4-diol
MOLECULAR FORMULA: C12H16N4O4
MOLECULAR WEIGHT: 280.27984
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC3=C2N=CN=C3N)CO)O)O
Structure:
CAS RN: 2397-59-3
CAS Name: 2,3-diethylnaphthalene-1,4-dione
OPENEYE Name: 2,3-diethylnaphthalene-1,4-dione
IUPAC Name: 2,3-diethylnaphthalene-1,4-dione
SYSTEMATIC NAME: 2,3-diethylnaphthalene-1,4-dione
MOLECULAR FORMULA: C14H14O2
MOLECULAR WEIGHT: 214.25976
SMILES: CCC1=C(C(=O)C2=CC=CC=C2C1=O)CC
Structure:
CAS RN: 13239-97-9
CAS Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidinethione
OPENEYE Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2-thione
IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione
SYSTEMATIC NAME: 4-azanyl-1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2-thione
MOLECULAR FORMULA: C9H13N3O4S
MOLECULAR WEIGHT: 259.28222
SMILES: C1=CN(C(=S)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
Structure:
CAS RN: 121032-29-9
CAS Name: (2R,3S,4S,5R)-2-(2-amino-6-methoxy-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: (2R,3S,4S,5R)-2-(2-amino-6-methoxy-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3S,4S,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3S,4S,5R)-2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C11H15N5O5
MOLECULAR WEIGHT: 297.2673
SMILES: COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N
Structure:
CAS RN: 134333-69-0
CAS Name: 5-(5-bromo-2-furanyl)-1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-(5-bromo-2-furyl)-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-(5-bromofuran-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(5-bromanylfuran-2-yl)-1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C13H13BrN2O6
MOLECULAR WEIGHT: 373.15612
SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)C3=CC=C(O3)Br)CO)O
Structure:
CAS RN: 133040-31-0
CAS Name: 5-(3-bromo-5-isoxazolyl)-1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-(3-bromoisoxazol-5-yl)-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-(3-bromo-1,2-oxazol-5-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(3-bromanyl-1,2-oxazol-5-yl)-1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H12BrN3O6
MOLECULAR WEIGHT: 374.14418
SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)C3=CC(=NO3)Br)CO)O
Structure:
CAS RN: 127235-62-5
CAS Name: 5-(2-furanyl)-1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-(2-furyl)-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-(furan-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(furan-2-yl)-1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C13H14N2O6
MOLECULAR WEIGHT: 294.26006
SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)C3=CC=CO3)CO)O
Structure:
CAS RN: 92233-50-6
CAS Name: 5-(2-furanyl)-1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-(2-furyl)-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-(furan-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(furan-2-yl)-1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C13H14N2O6
MOLECULAR WEIGHT: 294.26006
SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)C3=CC=CO3)CO)O
Structure:
CAS RN: 85561-97-3
CAS Name: 3H-benzimidazole-2,5-diamine
OPENEYE Name: 3H-benzimidazole-2,5-diamine
IUPAC Name: 3H-benzimidazole-2,5-diamine
SYSTEMATIC NAME: 3H-benzimidazole-2,5-diamine
MOLECULAR FORMULA: C7H8N4
MOLECULAR WEIGHT: 148.16522
SMILES: C1=CC2=C(C=C1N)NC(=N2)N
Structure:
CAS RN: 402957-28-2
CAS Name: (3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-1-oxo-2-[[oxo(2-pyrazinyl)methyl]amino]ethyl]amino]-3,3-dimethyl-1-oxobutyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
OPENEYE Name: (3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethyl-butanoyl]-N-[(1S)-1-[2-(cyclopropylamino)-2-oxo-acetyl]butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
IUPAC Name: (3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
SYSTEMATIC NAME: (3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazin-2-ylcarbonylamino)ethanoyl]amino]-3,3-dimethyl-butanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-bis(oxidanylidene)hexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
MOLECULAR FORMULA: C36H53N7O6
MOLECULAR WEIGHT: 679.84932
SMILES: CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5=NC=CN=C5
Structure:
CAS RN: 83337-52-4
CAS Name: 1-(butylthio)-2-(2,4-dichlorophenyl)-3-(1-imidazolyl)-2-propanol
OPENEYE Name: 1-butylsulfanyl-2-(2,4-dichlorophenyl)-3-imidazol-1-yl-propan-2-ol
IUPAC Name: 1-butylsulfanyl-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol
SYSTEMATIC NAME: 1-butylsulfanyl-2-(2,4-dichlorophenyl)-3-imidazol-1-yl-propan-2-ol
MOLECULAR FORMULA: C16H20Cl2N2OS
MOLECULAR WEIGHT: 359.3138
SMILES: CCCCSCC(CN1C=CN=C1)(C2=C(C=C(C=C2)Cl)Cl)O
Structure:
CAS RN: 333795-28-1
CAS Name: 3-(1-naphthalenyl)-1-phenyl-1-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]urea
OPENEYE Name: 1-[3-(4-benzyl-1-piperidyl)propyl]-3-(1-naphthyl)-1-phenyl-urea
IUPAC Name: 1-[3-(4-benzylpiperidin-1-yl)propyl]-3-naphthalen-1-yl-1-phenylurea
SYSTEMATIC NAME: 3-naphthalen-1-yl-1-phenyl-1-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]urea
MOLECULAR FORMULA: C32H35N3O
MOLECULAR WEIGHT: 477.6398
SMILES: C1CN(CCC1CC2=CC=CC=C2)CCCN(C3=CC=CC=C3)C(=O)NC4=CC=CC5=CC=CC=C54
Structure:
CAS RN: 333795-27-0
CAS Name: 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-1-[3-[4-[(4-fluorophenyl)methyl]-1-piperidinyl]propyl]urea
OPENEYE Name: 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-1-[3-[4-[(4-fluorophenyl)methyl]-1-piperidyl]propyl]urea
IUPAC Name: 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-1-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
SYSTEMATIC NAME: 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-1-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
MOLECULAR FORMULA: C28H29Cl3FN3O
MOLECULAR WEIGHT: 548.906763
SMILES: C1CN(CCC1CC2=CC=C(C=C2)F)CCCN(C3=CC(=C(C=C3)Cl)Cl)C(=O)NC4=CC=C(C=C4)Cl
Structure:
CAS RN: 257891-80-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H20ClN3S
MOLECULAR WEIGHT: 321.8681
SMILES: CC1CN2C3=C(C=C(C=C3CN1CC4CCC4)Cl)NC2=S
Structure:
CAS RN: 257891-79-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H18N4O2S
MOLECULAR WEIGHT: 318.39402
SMILES: CC1CN2C3=C(C=C(C=C3CN1CC4CC4)[N+](=O)[O-])NC2=S
Structure:
CAS RN: 257891-78-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H18ClN3S
MOLECULAR WEIGHT: 307.84152
SMILES: CC1CN2C3=C(C=C(C=C3CN1CC4CC4)Cl)NC2=S
Structure:
CAS RN: 257891-77-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H19N3S
MOLECULAR WEIGHT: 273.39646
SMILES: CC1CN2C3=C(CN1CC4CC4)C=CC=C3NC2=S
Structure:
CAS RN: 131662-41-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H17N3S
MOLECULAR WEIGHT: 259.36988
SMILES: CC1CN2C3=C(CN1CC=C)C=CC=C3NC2=S
Structure:
CAS RN: 257891-76-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H24ClN3S
MOLECULAR WEIGHT: 349.92126
SMILES: CCC(=CCN1CC2=CC(=CC3=C2N(CC1C)C(=S)N3)Cl)CC
Structure:
CAS RN: 257891-75-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H19N3S
MOLECULAR WEIGHT: 273.39646
SMILES: CC1CN2C3=C(CN1CC(=C)C)C=CC=C3NC2=S
Structure:
CAS RN: 257891-74-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H20ClN3S
MOLECULAR WEIGHT: 321.8681
SMILES: CC1CN2C3=C(C=C(C=C3CN1CCC4CC4)Cl)NC2=S
Structure:
CAS RN: 257891-72-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H20FN3S
MOLECULAR WEIGHT: 305.413503
SMILES: CC1CN2C3=C(C=C(C=C3CN1CC=C(C)C)F)NC2=S
Structure:
CAS RN: 257891-71-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H20ClN3S
MOLECULAR WEIGHT: 321.8681
SMILES: CC1CN2C3=C(C=C(C=C3CN1CC=C(C)C)Cl)NC2=S
Structure:
CAS RN: 257891-70-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H21N3S
MOLECULAR WEIGHT: 311.44444
SMILES: CC1CN2C3=C(C=CC(=C3CN1CC=C(C)C)C#C)NC2=S
Structure:
CAS RN: 257891-69-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H20IN3S
MOLECULAR WEIGHT: 413.31957
SMILES: CC1CN2C3=C(C=CC(=C3CN1CC=C(C)C)I)NC2=S
Structure:
CAS RN: 257891-68-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H23N3S
MOLECULAR WEIGHT: 301.44962
SMILES: CC1CN2C3=C(C=CC(=C3CN1CC=C(C)C)C)NC2=S
Structure:
CAS RN: 257891-67-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H20N4S
MOLECULAR WEIGHT: 312.4325
SMILES: CC1CN2C3=C(C=CC(=C3CN1CC=C(C)C)C#N)NC2=S
Structure:
CAS RN: 257891-66-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H20FN3S
MOLECULAR WEIGHT: 305.413503
SMILES: CC1CN2C3=C(C=CC(=C3CN1CC=C(C)C)F)NC2=S
Structure:
CAS RN: 257891-65-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H20ClN3S
MOLECULAR WEIGHT: 321.8681
SMILES: CC1CN2C3=C(C=CC(=C3CN1CC=C(C)C)Cl)NC2=S
Structure:
CAS RN: 257891-64-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H20BrN3S
MOLECULAR WEIGHT: 366.3191
SMILES: CC1CN2C3=C(C=CC(=C3CN1CC=C(C)C)Br)NC2=S
Structure:
CAS RN: 257891-63-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H25N3OS
MOLECULAR WEIGHT: 331.4756
SMILES: CCOC1=C2CN(C(CN3C2=C(C=C1)NC3=S)C)CC=C(C)C
Structure:
CAS RN: 257891-62-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H23N3OS
MOLECULAR WEIGHT: 317.44902
SMILES: CC1CN2C3=C(CN1CC=C(C)C)C=CC(=C3NC2=S)OC
Structure:
CAS RN: 257891-61-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H20ClN3O
MOLECULAR WEIGHT: 305.8025
SMILES: CC1CN2C3=C(C=C(C=C3CN1CC4CCC4)Cl)NC2=O
Structure:
CAS RN: 257891-60-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H24ClN3O
MOLECULAR WEIGHT: 333.85566
SMILES: CCC(=CCN1CC2=CC(=CC3=C2N(CC1C)C(=O)N3)Cl)CC
Structure:
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