5-[[3-azanyl-1-(3-methylpentyl)isoquinolin-4-yl]methyl]pyrrolidine-3-thiol

Systemtic Name: 5-[[3-azanyl-1-(3-methylpentyl)isoquinolin-4-yl]methyl]pyrrolidine-3-thiol Openeye Name: 5-[[3-amino-1-(3-methylpentyl)-4-isoquinolyl]methyl]pyrrolidine-3-thiol CAS Name: 5-[[3-amino-1-(3-methylpentyl)-4-isoquinolinyl]methyl]-3-pyrrolidinethiol IUPAC Name: 5-[[3-amino-1-(3-methylpentyl)isoquinolin-4-yl]methyl]pyrrolidine-3-thiol Traditional Name: 5-[[3-amino-1-(3-methylpentyl)-4-isoquinolyl]methyl]pyrrolidine-3-thiol Formula: C20H29N3S MolecularWeight: 343.52936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCC1=NC(=C(C2=CC=CC=C21)CC3CC(CN3)S)N

Isomeric SMILES

CCC(C)CCC1=NC(=C(C2=CC=CC=C21)CC3CC(CN3)S)N

InChI

InChI=1S/C20H29N3S/c1-3-13(2)8-9-19-17-7-5-4-6-16(17)18(20(21)23-19)11-14-10-15(24)12-22-14/h4-7,13-15,22,24H,3,8-12H2,1-2H3,(H2,21,23)