1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanone

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanone Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanone CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-2-(5H-pyrimido[5,4-b]indol-4-ylthio)ethanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanone Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-2-(5H-pyrimid[5,4-b]indol-4-ylthio)ethanone Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC=NC4=C3NC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC=NC4=C3NC5=CC=CC=C54

InChI

InChI=1S/C23H23N5O2S/c1-30-17-8-6-16(7-9-17)27-10-12-28(13-11-27)20(29)14-31-23-22-21(24-15-25-23)18-4-2-3-5-19(18)26-22/h2-9,15,26H,10-14H2,1H3