N4,N4-dimethyl-N6-(3-phenylmethoxyphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine

Systemtic Name: N4,N4-dimethyl-N6-(3-phenylmethoxyphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine Openeye Name: N6-(3-benzyloxyphenyl)-2-(4-benzylpiperazin-1-yl)-N4,N4-dimethyl-pyrimidine-4,6-diamine CAS Name: N4,N4-dimethyl-N6-(3-phenylmethoxyphenyl)-2-[4-(phenylmethyl)-1-piperazinyl]pyrimidine-4,6-diamine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethyl-6-N-(3-phenylmethoxyphenyl)pyrimidine-4,6-diamine Traditional Name: [6-(3-benzoxyanilino)-2-(4-benzylpiperazino)pyrimidin-4-yl]-dimethyl-amine Formula: C30H34N6O MolecularWeight: 494.63056

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=C1)NC2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CN(C)C1=NC(=NC(=C1)NC2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H34N6O/c1-34(2)29-21-28(31-26-14-9-15-27(20-26)37-23-25-12-7-4-8-13-25)32-30(33-29)36-18-16-35(17-19-36)22-24-10-5-3-6-11-24/h3-15,20-21H,16-19,22-23H2,1-2H3,(H,31,32,33)