CAS RN: 17288-53-8
CAS Name: 5-methoxy-1H-pyrrolo[2,3-c]pyridine
OPENEYE Name: 5-methoxy-1H-pyrrolo[2,3-c]pyridine
IUPAC Name: 5-methoxy-1H-pyrrolo[2,3-c]pyridine
SYSTEMATIC NAME: 5-methoxy-1H-pyrrolo[2,3-c]pyridine
MOLECULAR FORMULA: C8H8N2O
MOLECULAR WEIGHT: 148.16192
SMILES: COC1=NC=C2C(=C1)C=CN2
Structure:
CAS RN: 2736-73-4
CAS Name: (Z)-2,3-dichloro-2-propen-1-ol
OPENEYE Name: (Z)-2,3-dichloroprop-2-en-1-ol
IUPAC Name: (Z)-2,3-dichloroprop-2-en-1-ol
SYSTEMATIC NAME: (Z)-2,3-bis(chloranyl)prop-2-en-1-ol
MOLECULAR FORMULA: C3H4Cl2O
MOLECULAR WEIGHT: 126.96926
SMILES: C(/C(=C/Cl)/Cl)O
Structure:
CAS RN: 19210-21-0
CAS Name: (2S)-2-chloro-1-propanol
OPENEYE Name: (2S)-2-chloropropan-1-ol
IUPAC Name: (2S)-2-chloropropan-1-ol
SYSTEMATIC NAME: (2S)-2-chloranylpropan-1-ol
MOLECULAR FORMULA: C3H7ClO
MOLECULAR WEIGHT: 94.54008
SMILES: C[C@@H](CO)Cl
Structure:
CAS RN: 62593-33-3
CAS Name: (3S,4R)-heptane-3,4-diol
OPENEYE Name: (3S,4R)-heptane-3,4-diol
IUPAC Name: (3S,4R)-heptane-3,4-diol
SYSTEMATIC NAME: (3S,4R)-heptane-3,4-diol
MOLECULAR FORMULA: C7H16O2
MOLECULAR WEIGHT: 132.20074
SMILES: CCC[C@H]([C@H](CC)O)O
Structure:
CAS RN: 42514-50-1
CAS Name: 3-amino-3-methyl-1-butanol
OPENEYE Name: 3-amino-3-methyl-butan-1-ol
IUPAC Name: 3-amino-3-methylbutan-1-ol
SYSTEMATIC NAME: 3-azanyl-3-methyl-butan-1-ol
MOLECULAR FORMULA: C5H13NO
MOLECULAR WEIGHT: 103.16282
SMILES: CC(C)(CCO)N
Structure:
CAS RN: 42890-76-6
CAS Name: (2S)-butane-1,2,4-triol
OPENEYE Name: (2S)-butane-1,2,4-triol
IUPAC Name: (2S)-butane-1,2,4-triol
SYSTEMATIC NAME: (2S)-butane-1,2,4-triol
MOLECULAR FORMULA: C4H10O3
MOLECULAR WEIGHT: 106.1204
SMILES: C(CO)[C@@H](CO)O
Structure:
CAS RN: 42551-55-3
CAS Name: (2S,3R)-3-amino-2-butanol
OPENEYE Name: (2S,3R)-3-aminobutan-2-ol
IUPAC Name: (2S,3R)-3-aminobutan-2-ol
SYSTEMATIC NAME: (2S,3R)-3-azanylbutan-2-ol
MOLECULAR FORMULA: C4H11NO
MOLECULAR WEIGHT: 89.13624
SMILES: C[C@H]([C@H](C)O)N
Structure:
CAS RN: 2026-48-4
CAS Name: (2S)-2-amino-3-methyl-1-butanol
OPENEYE Name: (2S)-2-amino-3-methyl-butan-1-ol
IUPAC Name: (2S)-2-amino-3-methylbutan-1-ol
SYSTEMATIC NAME: (2S)-2-azanyl-3-methyl-butan-1-ol
MOLECULAR FORMULA: C5H13NO
MOLECULAR WEIGHT: 103.16282
SMILES: CC(C)[C@@H](CO)N
Structure:
CAS RN: 1532-91-8
CAS Name: 4-chloroisoquinoline
OPENEYE Name: 4-chloroisoquinoline
IUPAC Name: 4-chloroisoquinoline
SYSTEMATIC NAME: 4-chloranylisoquinoline
MOLECULAR FORMULA: C9H6ClN
MOLECULAR WEIGHT: 163.60364
SMILES: C1=CC=C2C(=C1)C=NC=C2Cl
Structure:
CAS RN: 34784-02-6
CAS Name: 3-bromoisoquinoline
OPENEYE Name: 3-bromoisoquinoline
IUPAC Name: 3-bromoisoquinoline
SYSTEMATIC NAME: 3-bromanylisoquinoline
MOLECULAR FORMULA: C9H6BrN
MOLECULAR WEIGHT: 208.05464
SMILES: C1=CC=C2C=NC(=CC2=C1)Br
Structure:
CAS RN: 19493-45-9
CAS Name: 3-chloroisoquinoline
OPENEYE Name: 3-chloroisoquinoline
IUPAC Name: 3-chloroisoquinoline
SYSTEMATIC NAME: 3-chloranylisoquinoline
MOLECULAR FORMULA: C9H6ClN
MOLECULAR WEIGHT: 163.60364
SMILES: C1=CC=C2C=NC(=CC2=C1)Cl
Structure:
CAS RN: 396-29-2
CAS Name: 3-fluoroisoquinoline
OPENEYE Name: 3-fluoroisoquinoline
IUPAC Name: 3-fluoroisoquinoline
SYSTEMATIC NAME: 3-fluoranylisoquinoline
MOLECULAR FORMULA: C9H6FN
MOLECULAR WEIGHT: 147.149043
SMILES: C1=CC=C2C=NC(=CC2=C1)F
Structure:
CAS RN: 1532-71-4
CAS Name: 1-bromoisoquinoline
OPENEYE Name: 1-bromoisoquinoline
IUPAC Name: 1-bromoisoquinoline
SYSTEMATIC NAME: 1-bromanylisoquinoline
MOLECULAR FORMULA: C9H6BrN
MOLECULAR WEIGHT: 208.05464
SMILES: C1=CC=C2C(=C1)C=CN=C2Br
Structure:
CAS RN: 42398-73-2
CAS Name: 6-methylisoquinoline
OPENEYE Name: 6-methylisoquinoline
IUPAC Name: 6-methylisoquinoline
SYSTEMATIC NAME: 6-methylisoquinoline
MOLECULAR FORMULA: C10H9N
MOLECULAR WEIGHT: 143.18516
SMILES: CC1=CC2=C(C=C1)C=NC=C2
Structure:
CAS RN: 7115-16-4
CAS Name: 1-chloro-3-methylisoquinoline
OPENEYE Name: 1-chloro-3-methyl-isoquinoline
IUPAC Name: 1-chloro-3-methylisoquinoline
SYSTEMATIC NAME: 1-chloranyl-3-methyl-isoquinoline
MOLECULAR FORMULA: C10H8ClN
MOLECULAR WEIGHT: 177.63022
SMILES: CC1=CC2=CC=CC=C2C(=N1)Cl
Structure:
CAS RN: 15298-58-5
CAS Name: 1,4-dichloroisoquinoline
OPENEYE Name: 1,4-dichloroisoquinoline
IUPAC Name: 1,4-dichloroisoquinoline
SYSTEMATIC NAME: 1,4-bis(chloranyl)isoquinoline
MOLECULAR FORMULA: C9H5Cl2N
MOLECULAR WEIGHT: 198.0487
SMILES: C1=CC=C2C(=C1)C(=CN=C2Cl)Cl
Structure:
CAS RN: 34784-07-1
CAS Name: 8-chloroisoquinoline
OPENEYE Name: 8-chloroisoquinoline
IUPAC Name: 8-chloroisoquinoline
SYSTEMATIC NAME: 8-chloranylisoquinoline
MOLECULAR FORMULA: C9H6ClN
MOLECULAR WEIGHT: 163.60364
SMILES: C1=CC2=C(C=NC=C2)C(=C1)Cl
Structure:
CAS RN: 34784-06-0
CAS Name: 7-chloroisoquinoline
OPENEYE Name: 7-chloroisoquinoline
IUPAC Name: 7-chloroisoquinoline
SYSTEMATIC NAME: 7-chloranylisoquinoline
MOLECULAR FORMULA: C9H6ClN
MOLECULAR WEIGHT: 163.60364
SMILES: C1=CC(=CC2=C1C=CN=C2)Cl
Structure:
CAS RN: 1196-39-0
CAS Name: 4-methylisoquinoline
OPENEYE Name: 4-methylisoquinoline
IUPAC Name: 4-methylisoquinoline
SYSTEMATIC NAME: 4-methylisoquinoline
MOLECULAR FORMULA: C10H9N
MOLECULAR WEIGHT: 143.18516
SMILES: CC1=CN=CC2=CC=CC=C12
Structure:
CAS RN: 23156-75-4
CAS Name: 2-(benzenesulfonyl)benzene-1,4-diol
OPENEYE Name: 2-(benzenesulfonyl)benzene-1,4-diol
IUPAC Name: 2-(benzenesulfonyl)benzene-1,4-diol
SYSTEMATIC NAME: 2-(phenylsulfonyl)benzene-1,4-diol
MOLECULAR FORMULA: C12H10O4S
MOLECULAR WEIGHT: 250.2704
SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)O)O
Structure:
CAS RN: 76006-08-1
CAS Name: 5-chloro-1H-pyrazolo[3,4-c]pyridine
OPENEYE Name: 5-chloro-1H-pyrazolo[3,4-c]pyridine
IUPAC Name: 5-chloro-1H-pyrazolo[3,4-c]pyridine
SYSTEMATIC NAME: 5-chloranyl-1H-pyrazolo[3,4-c]pyridine
MOLECULAR FORMULA: C6H4ClN3
MOLECULAR WEIGHT: 153.56906
SMILES: C1=C2C=NNC2=CN=C1Cl
Structure:
CAS RN: 68236-03-3
CAS Name: 6-chloropyrido[2,3-b]pyrazine
OPENEYE Name: 6-chloropyrido[2,3-b]pyrazine
IUPAC Name: 6-chloropyrido[2,3-b]pyrazine
SYSTEMATIC NAME: 6-chloranylpyrido[2,3-b]pyrazine
MOLECULAR FORMULA: C7H4ClN3
MOLECULAR WEIGHT: 165.57976
SMILES: C1=CC(=NC2=NC=CN=C21)Cl
Structure:
CAS RN: 26189-59-3
CAS Name: 1-chloro-N,N,2-trimethyl-1-propen-1-amine
OPENEYE Name: 1-chloro-N,N,2-trimethyl-prop-1-en-1-amine
IUPAC Name: 1-chloro-N,N,2-trimethylprop-1-en-1-amine
SYSTEMATIC NAME: 1-chloranyl-N,N,2-trimethyl-prop-1-en-1-amine
MOLECULAR FORMULA: C6H12ClN
MOLECULAR WEIGHT: 133.61918
SMILES: CC(=C(N(C)C)Cl)C
Structure:
CAS RN: 4923-91-5
CAS Name: 2,3-dimethyl-1-benzothiophene
OPENEYE Name: 2,3-dimethylbenzothiophene
IUPAC Name: 2,3-dimethyl-1-benzothiophene
SYSTEMATIC NAME: 2,3-dimethyl-1-benzothiophene
MOLECULAR FORMULA: C10H10S
MOLECULAR WEIGHT: 162.2514
SMILES: CC1=C(SC2=CC=CC=C12)C
Structure:
CAS RN: 70785-26-1
CAS Name: N-(4-methylphenyl)-1,3-benzothiazol-2-amine
OPENEYE Name: N-(p-tolyl)-1,3-benzothiazol-2-amine
IUPAC Name: N-(4-methylphenyl)-1,3-benzothiazol-2-amine
SYSTEMATIC NAME: N-(4-methylphenyl)-1,3-benzothiazol-2-amine
MOLECULAR FORMULA: C14H12N2S
MOLECULAR WEIGHT: 240.32348
SMILES: CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2
Structure:
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