3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butyl]-8-methoxy-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butyl]-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-4-one Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C24H24N4O3S/c1-31-17-8-9-19-18(13-17)21-22(25-19)23(30)28(24(32)26-21)11-4-7-20(29)27-12-10-15-5-2-3-6-16(15)14-27/h2-3,5-6,8-9,13,25H,4,7,10-12,14H2,1H3,(H,26,32)