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

Systemtic Name: 8-methoxy-3-(5-oxidanylidene-5-pyrrolidin-1-yl-pentyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 8-methoxy-3-(5-oxo-5-pyrrolidin-1-yl-pentyl)-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 8-methoxy-3-[5-oxo-5-(1-pyrrolidinyl)pentyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 8-methoxy-3-(5-oxo-5-pyrrolidin-1-ylpentyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-(5-keto-5-pyrrolidino-pentyl)-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-4-one Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3S/c1-27-13-7-8-15-14(12-13)17-18(21-15)19(26)24(20(28)22-17)11-3-2-6-16(25)23-9-4-5-10-23/h7-8,12,21H,2-6,9-11H2,1H3,(H,22,28)