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

Systemtic Name: 3-[5-(4-ethylpiperazin-1-yl)-5-oxidanylidene-pentyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 3-[5-(4-ethylpiperazin-1-yl)-5-oxo-pentyl]-8-methoxy-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 3-[5-(4-ethyl-1-piperazinyl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 3-[5-(4-ethylpiperazin-1-yl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-[5-(4-ethylpiperazino)-5-keto-pentyl]-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-4-one Formula: C22H29N5O3S MolecularWeight: 443.56236

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

InChI

InChI=1S/C22H29N5O3S/c1-3-25-10-12-26(13-11-25)18(28)6-4-5-9-27-21(29)20-19(24-22(27)31)16-14-15(30-2)7-8-17(16)23-20/h7-8,14,23H,3-6,9-13H2,1-2H3,(H,24,31)