2-(4-phenylpiperazin-1-yl)-4-pyridin-4-yl-6-(3,4,5-trimethoxyphenyl)pyrimidine

Systemtic Name: 2-(4-phenylpiperazin-1-yl)-4-pyridin-4-yl-6-(3,4,5-trimethoxyphenyl)pyrimidine Openeye Name: 2-(4-phenylpiperazin-1-yl)-4-(4-pyridyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine CAS Name: 2-(4-phenyl-1-piperazinyl)-4-pyridin-4-yl-6-(3,4,5-trimethoxyphenyl)pyrimidine IUPAC Name: 2-(4-phenylpiperazin-1-yl)-4-pyridin-4-yl-6-(3,4,5-trimethoxyphenyl)pyrimidine Traditional Name: 2-(4-phenylpiperazino)-4-(4-pyridyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC(=NC(=C2)C3=CC=NC=C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC(=NC(=C2)C3=CC=NC=C3)N4CCN(CC4)C5=CC=CC=C5

InChI

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