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

Systemtic Name: 8-methoxy-3-[5-oxidanylidene-5-(4-pentan-2-ylpiperazin-1-yl)pentyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 8-methoxy-3-[5-[4-(1-methylbutyl)piperazin-1-yl]-5-oxo-pentyl]-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 8-methoxy-3-[5-oxo-5-(4-pentan-2-yl-1-piperazinyl)pentyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 8-methoxy-3-[5-oxo-5-(4-pentan-2-ylpiperazin-1-yl)pentyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-[5-keto-5-[4-(1-methylbutyl)piperazino]pentyl]-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-4-one Formula: C25H35N5O3S MolecularWeight: 485.6421

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1CCN(CC1)C(=O)CCCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

Isomeric SMILES

CCCC(C)N1CCN(CC1)C(=O)CCCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

InChI

InChI=1S/C25H35N5O3S/c1-4-7-17(2)28-12-14-29(15-13-28)21(31)8-5-6-11-30-24(32)23-22(27-25(30)34)19-16-18(33-3)9-10-20(19)26-23/h9-10,16-17,26H,4-8,11-15H2,1-3H3,(H,27,34)