N6-(4-heptylphenyl)-N4,N4-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine

Systemtic Name: N6-(4-heptylphenyl)-N4,N4-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine Openeye Name: N6-(4-heptylphenyl)-N4,N4-dimethyl-2-[4-(2-pyridyl)piperazin-1-yl]pyrimidine-4,6-diamine CAS Name: N6-(4-heptylphenyl)-N4,N4-dimethyl-2-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine-4,6-diamine IUPAC Name: 6-N-(4-heptylphenyl)-4-N,4-N-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine Traditional Name: [6-(4-heptylanilino)-2-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]-dimethyl-amine Formula: C28H39N7 MolecularWeight: 473.65616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)NC2=CC(=NC(=N2)N3CCN(CC3)C4=CC=CC=N4)N(C)C

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)NC2=CC(=NC(=N2)N3CCN(CC3)C4=CC=CC=N4)N(C)C

InChI

InChI=1S/C28H39N7/c1-4-5-6-7-8-11-23-13-15-24(16-14-23)30-25-22-27(33(2)3)32-28(31-25)35-20-18-34(19-21-35)26-12-9-10-17-29-26/h9-10,12-17,22H,4-8,11,18-21H2,1-3H3,(H,30,31,32)