6,7-dimethoxy-2-(7-methylsulfanyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-(7-methylsulfanyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-(7-methylsulfanyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[7-(methylthio)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-(7-methylsulfanyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[7-(methylthio)-1,3,4,9-tetrahydro-$b-carbolin-2-yl]-1H-quinazolin-4-one Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)N3CCC4=C(C3)NC5=C4C=CC(=C5)SC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)N3CCC4=C(C3)NC5=C4C=CC(=C5)SC)OC

InChI

InChI=1S/C22H22N4O3S/c1-28-19-9-15-17(10-20(19)29-2)24-22(25-21(15)27)26-7-6-14-13-5-4-12(30-3)8-16(13)23-18(14)11-26/h4-5,8-10,23H,6-7,11H2,1-3H3,(H,24,25,27)