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

Systemtic Name: 8-methyl-3-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 8-methyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 8-methyl-3-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 8-methyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]-8-methyl-5H-pyrimid[5,4-b]indol-4-one Formula: C22H23N7O2 MolecularWeight: 417.46372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N7O2/c1-15-3-4-17-16(13-15)19-20(26-17)21(31)29(14-25-19)8-5-18(30)27-9-11-28(12-10-27)22-23-6-2-7-24-22/h2-4,6-7,13-14,26H,5,8-12H2,1H3