N4,N4-dimethyl-N6-(3-phenylmethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine

Systemtic Name: N4,N4-dimethyl-N6-(3-phenylmethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine Openeye Name: N6-(3-benzyloxyphenyl)-N4,N4-dimethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine CAS Name: N4,N4-dimethyl-N6-(3-phenylmethoxyphenyl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dimethyl-6-N-(3-phenylmethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine Traditional Name: [6-(3-benzoxyanilino)-2-[4-(2-pyrimidyl)piperazino]pyrimidin-4-yl]-dimethyl-amine Formula: C27H30N8O MolecularWeight: 482.5801

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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)C5=NC=CC=N5

Isomeric SMILES

CN(C)C1=NC(=NC(=C1)NC2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C27H30N8O/c1-33(2)25-19-24(30-22-10-6-11-23(18-22)36-20-21-8-4-3-5-9-21)31-27(32-25)35-16-14-34(15-17-35)26-28-12-7-13-29-26/h3-13,18-19H,14-17,20H2,1-2H3,(H,30,31,32)