8-methyl-3-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 8-methyl-3-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 8-methyl-3-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 8-methyl-3-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 8-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-8-methyl-5H-pyrimid[5,4-b]indol-4-one Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CC(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CC(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C22H22N6O2/c1-15-5-6-17-16(12-15)20-21(25-17)22(30)28(14-24-20)13-19(29)27-10-8-26(9-11-27)18-4-2-3-7-23-18/h2-7,12,14,25H,8-11,13H2,1H3