3-(4-methylphenyl)-2-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one

Systemtic Name: 3-(4-methylphenyl)-2-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one Openeye Name: 2-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-(p-tolyl)quinazolin-4-one CAS Name: 3-(4-methylphenyl)-2-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4-quinazolinone IUPAC Name: 3-(4-methylphenyl)-2-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one Traditional Name: 2-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]-3-(p-tolyl)quinazolin-4-one Formula: C26H26N6O2 MolecularWeight: 454.52364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CCC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CCC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C26H26N6O2/c1-19-7-9-20(10-8-19)32-23(29-22-6-3-2-5-21(22)25(32)34)11-12-24(33)30-15-17-31(18-16-30)26-27-13-4-14-28-26/h2-10,13-14H,11-12,15-18H2,1H3