2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-pyridin-4-yl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-pyridin-4-yl-1H-pyrimidin-4-one Openeye Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-(4-pyridyl)-1H-pyrimidin-4-one CAS Name: 2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-6-pyridin-4-yl-1H-pyrimidin-4-one IUPAC Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-pyridin-4-yl-1H-pyrimidin-4-one Traditional Name: 2-[4-(2,5-dimethylphenyl)piperazino]-6-(4-pyridyl)-1H-pyrimidin-4-one Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=NC(=O)C=C(N3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=NC(=O)C=C(N3)C4=CC=NC=C4

InChI

InChI=1S/C21H23N5O/c1-15-3-4-16(2)19(13-15)25-9-11-26(12-10-25)21-23-18(14-20(27)24-21)17-5-7-22-8-6-17/h3-8,13-14H,9-12H2,1-2H3,(H,23,24,27)