8-methoxy-3-[5-oxidanylidene-5-(4-pyrimidin-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-pyrimidin-2-ylpiperazin-1-yl)pentyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 8-methoxy-3-[5-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 8-methoxy-3-[5-oxo-5-[4-(2-pyrimidinyl)-1-piperazinyl]pentyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 8-methoxy-3-[5-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-[5-keto-5-[4-(2-pyrimidyl)piperazino]pentyl]-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-4-one Formula: C24H27N7O3S MolecularWeight: 493.58128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C24H27N7O3S/c1-34-16-6-7-18-17(15-16)20-21(27-18)22(33)31(24(35)28-20)10-3-2-5-19(32)29-11-13-30(14-12-29)23-25-8-4-9-26-23/h4,6-9,15,27H,2-3,5,10-14H2,1H3,(H,28,35)