4-azanyl-3,3-dimethyl-1-[2-[(4-sulfanylpyrrolidin-2-yl)methyl]-1H-isoquinolin-1-yl]butan-1-one

Systemtic Name: 4-azanyl-3,3-dimethyl-1-[2-[(4-sulfanylpyrrolidin-2-yl)methyl]-1H-isoquinolin-1-yl]butan-1-one Openeye Name: 4-amino-3,3-dimethyl-1-[2-[(4-sulfanylpyrrolidin-2-yl)methyl]-1H-isoquinolin-1-yl]butan-1-one CAS Name: 4-amino-1-[2-[(4-mercapto-2-pyrrolidinyl)methyl]-1H-isoquinolin-1-yl]-3,3-dimethyl-1-butanone IUPAC Name: 4-amino-3,3-dimethyl-1-[2-[(4-sulfanylpyrrolidin-2-yl)methyl]-1H-isoquinolin-1-yl]butan-1-one Traditional Name: 4-amino-1-[2-[(4-mercaptopyrrolidin-2-yl)methyl]-1H-isoquinolin-1-yl]-3,3-dimethyl-butan-1-one Formula: C20H29N3OS MolecularWeight: 359.52876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C1C2=CC=CC=C2C=CN1CC3CC(CN3)S)CN

Isomeric SMILES

CC(C)(CC(=O)C1C2=CC=CC=C2C=CN1CC3CC(CN3)S)CN

InChI

InChI=1S/C20H29N3OS/c1-20(2,13-21)10-18(24)19-17-6-4-3-5-14(17)7-8-23(19)12-15-9-16(25)11-22-15/h3-8,15-16,19,22,25H,9-13,21H2,1-2H3