4-[(4-chlorophenyl)amino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: 4-[(4-chlorophenyl)amino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one Openeye Name: 4-(4-chloroanilino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one CAS Name: 4-(4-chloroanilino)-2-[4-(2-pyrimidinyl)-1-piperazinyl]-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: 4-(4-chloroanilino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one Traditional Name: 4-(4-chloroanilino)-2-[4-(2-pyrimidyl)piperazino]-7,8-dihydro-6H-quinazolin-5-one Formula: C22H22ClN7O MolecularWeight: 435.90938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)C(=NC(=N2)N3CCN(CC3)C4=NC=CC=N4)NC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CC2=C(C(=O)C1)C(=NC(=N2)N3CCN(CC3)C4=NC=CC=N4)NC5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H22ClN7O/c23-15-5-7-16(8-6-15)26-20-19-17(3-1-4-18(19)31)27-22(28-20)30-13-11-29(12-14-30)21-24-9-2-10-25-21/h2,5-10H,1,3-4,11-14H2,(H,26,27,28)