4-(3,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)-6-pyridin-4-yl-pyrimidine

Systemtic Name: 4-(3,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)-6-pyridin-4-yl-pyrimidine Openeye Name: 4-(3,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)-6-(4-pyridyl)pyrimidine CAS Name: 4-(3,4-dimethylphenyl)-2-(4-phenyl-1-piperazinyl)-6-pyridin-4-ylpyrimidine IUPAC Name: 4-(3,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)-6-pyridin-4-ylpyrimidine Traditional Name: 4-(3,4-dimethylphenyl)-2-(4-phenylpiperazino)-6-(4-pyridyl)pyrimidine Formula: C27H27N5 MolecularWeight: 421.53678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NC(=N2)N3CCN(CC3)C4=CC=CC=C4)C5=CC=NC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NC(=N2)N3CCN(CC3)C4=CC=CC=C4)C5=CC=NC=C5)C

InChI

InChI=1S/C27H27N5/c1-20-8-9-23(18-21(20)2)26-19-25(22-10-12-28-13-11-22)29-27(30-26)32-16-14-31(15-17-32)24-6-4-3-5-7-24/h3-13,18-19H,14-17H2,1-2H3