9,10-dimethoxy-2-(4-methylphenyl)sulfanyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

Systemtic Name: 9,10-dimethoxy-2-(4-methylphenyl)sulfanyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Openeye Name: 9,10-dimethoxy-2-(p-tolylsulfanyl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one CAS Name: 9,10-dimethoxy-2-[(4-methylphenyl)thio]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one IUPAC Name: 9,10-dimethoxy-2-(4-methylphenyl)sulfanyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Traditional Name: 9,10-dimethoxy-2-(p-tolylthio)-6,7-dihydropyrimid[6,1-a]isoquinolin-4-one Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC

InChI

InChI=1S/C21H20N2O3S/c1-13-4-6-15(7-5-13)27-20-12-17-16-11-19(26-3)18(25-2)10-14(16)8-9-23(17)21(24)22-20/h4-7,10-12H,8-9H2,1-3H3