4-(2,5-dimethoxyphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]-6-pyridin-4-yl-pyrimidine

Systemtic Name: 4-(2,5-dimethoxyphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]-6-pyridin-4-yl-pyrimidine Openeye Name: 2-(4-benzylpiperazin-1-yl)-4-(2,5-dimethoxyphenyl)-6-(4-pyridyl)pyrimidine CAS Name: 4-(2,5-dimethoxyphenyl)-2-[4-(phenylmethyl)-1-piperazinyl]-6-pyridin-4-ylpyrimidine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-4-(2,5-dimethoxyphenyl)-6-pyridin-4-ylpyrimidine Traditional Name: 2-(4-benzylpiperazino)-4-(2,5-dimethoxyphenyl)-6-(4-pyridyl)pyrimidine Formula: C28H29N5O2 MolecularWeight: 467.56216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=NC(=NC(=C2)C3=CC=NC=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=NC(=NC(=C2)C3=CC=NC=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N5O2/c1-34-23-8-9-27(35-2)24(18-23)26-19-25(22-10-12-29-13-11-22)30-28(31-26)33-16-14-32(15-17-33)20-21-6-4-3-5-7-21/h3-13,18-19H,14-17,20H2,1-2H3