2-butyl-7-(dimethylamino)-6-methylsulfanyl-isoquinoline-3,5,8-trione

Systemtic Name: 2-butyl-7-(dimethylamino)-6-methylsulfanyl-isoquinoline-3,5,8-trione Openeye Name: 2-butyl-7-(dimethylamino)-6-methylsulfanyl-isoquinoline-3,5,8-trione CAS Name: 2-butyl-7-(dimethylamino)-6-(methylthio)isoquinoline-3,5,8-trione IUPAC Name: 2-butyl-7-(dimethylamino)-6-methylsulfanylisoquinoline-3,5,8-trione Traditional Name: 2-butyl-7-(dimethylamino)-6-(methylthio)isoquinoline-3,5,8-trione Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C2C(=CC1=O)C(=O)C(=C(C2=O)N(C)C)SC

Isomeric SMILES

CCCCN1C=C2C(=CC1=O)C(=O)C(=C(C2=O)N(C)C)SC

InChI

InChI=1S/C16H20N2O3S/c1-5-6-7-18-9-11-10(8-12(18)19)15(21)16(22-4)13(14(11)20)17(2)3/h8-9H,5-7H2,1-4H3