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

Systemtic Name: 8-methoxy-3-[5-(4-methylpiperazin-1-yl)-5-oxidanylidene-pentyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 8-methoxy-3-[5-(4-methylpiperazin-1-yl)-5-oxo-pentyl]-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 8-methoxy-3-[5-(4-methyl-1-piperazinyl)-5-oxopentyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 8-methoxy-3-[5-(4-methylpiperazin-1-yl)-5-oxopentyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-[5-keto-5-(4-methylpiperazino)pentyl]-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-4-one Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

Isomeric SMILES

CN1CCN(CC1)C(=O)CCCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

InChI

InChI=1S/C21H27N5O3S/c1-24-9-11-25(12-10-24)17(27)5-3-4-8-26-20(28)19-18(23-21(26)30)15-13-14(29-2)6-7-16(15)22-19/h6-7,13,22H,3-5,8-12H2,1-2H3,(H,23,30)