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

Systemtic Name: 8-methoxy-3-(6-oxidanylidene-6-pyrrolidin-1-yl-hexyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 8-methoxy-3-(6-oxo-6-pyrrolidin-1-yl-hexyl)-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 8-methoxy-3-[6-oxo-6-(1-pyrrolidinyl)hexyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 8-methoxy-3-(6-oxo-6-pyrrolidin-1-ylhexyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-(6-keto-6-pyrrolidino-hexyl)-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-4-one Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCCC(=O)N4CCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCCC(=O)N4CCCC4

InChI

InChI=1S/C21H26N4O3S/c1-28-14-8-9-16-15(13-14)18-19(22-16)20(27)25(21(29)23-18)12-4-2-3-7-17(26)24-10-5-6-11-24/h8-9,13,22H,2-7,10-12H2,1H3,(H,23,29)