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

Systemtic Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]-8-methoxy-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-4-one Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O3S/c1-30-16-6-7-18-17(12-16)20-21(24-18)22(29)27(23(31)25-20)11-9-19(28)26-10-8-14-4-2-3-5-15(14)13-26/h2-7,12,24H,8-11,13H2,1H3,(H,25,31)