2-(4-phenylpiperazin-1-yl)-4-pyridin-4-yl-6-(2,4,5-trimethoxyphenyl)pyrimidine

Systemtic Name: 2-(4-phenylpiperazin-1-yl)-4-pyridin-4-yl-6-(2,4,5-trimethoxyphenyl)pyrimidine Openeye Name: 2-(4-phenylpiperazin-1-yl)-4-(4-pyridyl)-6-(2,4,5-trimethoxyphenyl)pyrimidine CAS Name: 2-(4-phenyl-1-piperazinyl)-4-pyridin-4-yl-6-(2,4,5-trimethoxyphenyl)pyrimidine IUPAC Name: 2-(4-phenylpiperazin-1-yl)-4-pyridin-4-yl-6-(2,4,5-trimethoxyphenyl)pyrimidine Traditional Name: 4-asaryl-2-(4-phenylpiperazino)-6-(4-pyridyl)pyrimidine Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=NC(=NC(=C2)C3=CC=NC=C3)N4CCN(CC4)C5=CC=CC=C5)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C2=NC(=NC(=C2)C3=CC=NC=C3)N4CCN(CC4)C5=CC=CC=C5)OC)OC

InChI

InChI=1S/C28H29N5O3/c1-34-25-19-27(36-3)26(35-2)17-22(25)24-18-23(20-9-11-29-12-10-20)30-28(31-24)33-15-13-32(14-16-33)21-7-5-4-6-8-21/h4-12,17-19H,13-16H2,1-3H3