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

Systemtic Name: 8-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 8-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 8-methoxy-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 8-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-[2-keto-2-(4-methylpiperazino)ethyl]-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-4-one Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

Isomeric SMILES

CN1CCN(CC1)C(=O)CN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

InChI

InChI=1S/C18H21N5O3S/c1-21-5-7-22(8-6-21)14(24)10-23-17(25)16-15(20-18(23)27)12-9-11(26-2)3-4-13(12)19-16/h3-4,9,19H,5-8,10H2,1-2H3,(H,20,27)