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

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-yl]-4-pyridin-4-yl-6-(2,4,5-trimethoxyphenyl)pyrimidine Openeye Name: 2-(4-benzylpiperazin-1-yl)-4-(4-pyridyl)-6-(2,4,5-trimethoxyphenyl)pyrimidine CAS Name: 2-[4-(phenylmethyl)-1-piperazinyl]-4-pyridin-4-yl-6-(2,4,5-trimethoxyphenyl)pyrimidine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-4-pyridin-4-yl-6-(2,4,5-trimethoxyphenyl)pyrimidine Traditional Name: 4-asaryl-2-(4-benzylpiperazino)-6-(4-pyridyl)pyrimidine Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=NC(=NC(=C2)C3=CC=NC=C3)N4CCN(CC4)CC5=CC=CC=C5)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C2=NC(=NC(=C2)C3=CC=NC=C3)N4CCN(CC4)CC5=CC=CC=C5)OC)OC

InChI

InChI=1S/C29H31N5O3/c1-35-26-19-28(37-3)27(36-2)17-23(26)25-18-24(22-9-11-30-12-10-22)31-29(32-25)34-15-13-33(14-16-34)20-21-7-5-4-6-8-21/h4-12,17-19H,13-16,20H2,1-3H3