4-(3,4-dimethylphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]-6-pyridin-4-yl-pyrimidine

Systemtic Name: 4-(3,4-dimethylphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]-6-pyridin-4-yl-pyrimidine Openeye Name: 2-(4-benzylpiperazin-1-yl)-4-(3,4-dimethylphenyl)-6-(4-pyridyl)pyrimidine CAS Name: 4-(3,4-dimethylphenyl)-2-[4-(phenylmethyl)-1-piperazinyl]-6-pyridin-4-ylpyrimidine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-4-(3,4-dimethylphenyl)-6-pyridin-4-ylpyrimidine Traditional Name: 2-(4-benzylpiperazino)-4-(3,4-dimethylphenyl)-6-(4-pyridyl)pyrimidine Formula: C28H29N5 MolecularWeight: 435.56336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NC(=N2)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=NC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NC(=N2)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=NC=C5)C

InChI

InChI=1S/C28H29N5/c1-21-8-9-25(18-22(21)2)27-19-26(24-10-12-29-13-11-24)30-28(31-27)33-16-14-32(15-17-33)20-23-6-4-3-5-7-23/h3-13,18-19H,14-17,20H2,1-2H3