3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-hexyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-hexyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-hexyl]-8-methoxy-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxohexyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxohexyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-keto-hexyl]-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-4-one Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O3S/c1-33-19-10-11-21-20(15-19)23-24(27-21)25(32)30(26(34)28-23)13-6-2-3-9-22(31)29-14-12-17-7-4-5-8-18(17)16-29/h4-5,7-8,10-11,15,27H,2-3,6,9,12-14,16H2,1H3,(H,28,34)