CAS RN: 136706-34-8
CAS Name: 6-[(2S)-2-(methylamino)propyl]-1,3-benzodioxol-5-ol
OPENEYE Name: 6-[(2S)-2-(methylamino)propyl]-1,3-benzodioxol-5-ol
IUPAC Name: 6-[(2S)-2-(methylamino)propyl]-1,3-benzodioxol-5-ol
SYSTEMATIC NAME: 6-[(2S)-2-(methylamino)propyl]-1,3-benzodioxol-5-ol
MOLECULAR FORMULA: C11H15NO3
MOLECULAR WEIGHT: 209.2417
SMILES: C[C@@H](CC1=CC2=C(C=C1O)OCO2)NC
Structure:
CAS RN: 136706-33-7
CAS Name: 5-(2-aminopropyl)benzene-1,2,4-triol
OPENEYE Name: 5-(2-aminopropyl)benzene-1,2,4-triol
IUPAC Name: 5-(2-aminopropyl)benzene-1,2,4-triol
SYSTEMATIC NAME: 5-(2-azanylpropyl)benzene-1,2,4-triol
MOLECULAR FORMULA: C9H13NO3
MOLECULAR WEIGHT: 183.20442
SMILES: CC(CC1=CC(=C(C=C1O)O)O)N
Structure:
CAS RN: 136685-37-5
CAS Name: (1R,3S,4S,5R)-4-hydroxy-3-phenyl-2,6-dioxabicyclo[3.3.1]nonan-7-one
OPENEYE Name: (1R,3S,4S,5R)-4-hydroxy-3-phenyl-2,6-dioxabicyclo[3.3.1]nonan-7-one
IUPAC Name: (1R,3S,4S,5R)-4-hydroxy-3-phenyl-2,6-dioxabicyclo[3.3.1]nonan-7-one
SYSTEMATIC NAME: (1R,3S,4S,5R)-4-oxidanyl-3-phenyl-2,6-dioxabicyclo[3.3.1]nonan-7-one
MOLECULAR FORMULA: C13H14O4
MOLECULAR WEIGHT: 234.24786
SMILES: C1[C@@H]2CC(=O)O[C@H]1[C@@H]([C@@H](O2)C3=CC=CC=C3)O
Structure:
CAS RN: 136675-88-2
CAS Name: 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidinone
OPENEYE Name: 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
IUPAC Name: 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SYSTEMATIC NAME: 1-[(2R,3S,4R,5R)-3-fluoranyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one
MOLECULAR FORMULA: C9H11FN2O4
MOLECULAR WEIGHT: 230.193043
SMILES: C1=CN(C(=O)N=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F
Structure:
CAS RN: 136459-42-2
CAS Name: (7S)-2-amino-7-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one
OPENEYE Name: (7S)-2-amino-7-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one
IUPAC Name: (7S)-2-amino-7-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one
SYSTEMATIC NAME: (7S)-2-azanyl-7-[(1R,2S)-1,2-bis(oxidanyl)propyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one
MOLECULAR FORMULA: C9H15N5O3
MOLECULAR WEIGHT: 241.2471
SMILES: C[C@@H]([C@@H]([C@@H]1CNC2=C(N1)NC(=NC2=O)N)O)O
Structure:
CAS RN: 136427-58-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H14ClNS
MOLECULAR WEIGHT: 263.78566
SMILES: CN1CCC2=C(C=CC3=C2C(=C(S3)C=C)C1)Cl
Structure:
CAS RN: 138194-10-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H14ClNS
MOLECULAR WEIGHT: 263.78566
SMILES: CN1CCC2=C(C=CC3=C2C(=C(S3)C=C)C1)Cl
Structure:
CAS RN: 136396-66-2
CAS Name: acetic acid 2-[2-(2-acetyloxy-1-oxoethyl)-1-pyrrolyl]ethyl ester
OPENEYE Name: 2-[2-(2-acetoxyacetyl)pyrrol-1-yl]ethyl acetate
IUPAC Name: 2-[2-(2-acetyloxyacetyl)pyrrol-1-yl]ethyl acetate
SYSTEMATIC NAME: 2-[2-(2-acetyloxyethanoyl)pyrrol-1-yl]ethyl ethanoate
MOLECULAR FORMULA: C12H15NO5
MOLECULAR WEIGHT: 253.2512
SMILES: CC(=O)OCCN1C=CC=C1C(=O)COC(=O)C
Structure:
CAS RN: 136353-70-3
CAS Name: (1R,4S,5S,6S)-4-[2-(3-methyl-3-diazirinyl)ethylthio]-7-oxabicyclo[4.1.0]hept-2-en-5-ol
OPENEYE Name: (1R,4S,5S,6S)-4-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]-7-oxabicyclo[4.1.0]hept-2-en-5-ol
IUPAC Name: (1R,4S,5S,6S)-4-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]-7-oxabicyclo[4.1.0]hept-2-en-5-ol
SYSTEMATIC NAME: (1R,4S,5S,6S)-4-[2-(3-methyl-1,2-diazirin-3-yl)ethylsulfanyl]-7-oxabicyclo[4.1.0]hept-2-en-5-ol
MOLECULAR FORMULA: C10H14N2O2S
MOLECULAR WEIGHT: 226.29536
SMILES: CC1(N=N1)CCS[C@H]2C=C[C@@H]3[C@H]([C@@H]2O)O3
Structure:
CAS RN: 136320-61-1
CAS Name: (3S,5S,9R,10S,13R,17R)-17-[(2R)-5-(dimethylamino)pentan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
OPENEYE Name: (3S,5S,9R,10S,13R,17R)-17-[(1R)-4-(dimethylamino)-1-methyl-butyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
IUPAC Name: (3S,5S,9R,10S,13R,17R)-17-[(2R)-5-(dimethylamino)pentan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
SYSTEMATIC NAME: (3S,5S,9R,10S,13R,17R)-17-[(2R)-5-(dimethylamino)pentan-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
MOLECULAR FORMULA: C26H43NO2
MOLECULAR WEIGHT: 401.62512
SMILES: C[C@H](CCCN(C)C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC[C@]12C)C)O
Structure:
CAS RN: 136182-63-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26O3
MOLECULAR WEIGHT: 314.41864
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)[C@@H]5C[C@]34COC5
Structure:
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