3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]quinazolin-4-one

Systemtic Name: 3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]quinazolin-4-one Openeye Name: 3-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one CAS Name: 3-[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]-4-quinazolinone IUPAC Name: 3-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one Traditional Name: 3-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]phenyl]quinazolin-4-one Formula: C23H20N6O2 MolecularWeight: 412.4439

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C23H20N6O2/c30-21(27-12-14-28(15-13-27)23-24-10-3-11-25-23)17-6-8-18(9-7-17)29-16-26-20-5-2-1-4-19(20)22(29)31/h1-11,16H,12-15H2