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

Systemtic Name: N6-(4-hexylphenyl)-N4,N4-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine Openeye Name: N6-(4-hexylphenyl)-N4,N4-dimethyl-2-[4-(2-pyridyl)piperazin-1-yl]pyrimidine-4,6-diamine CAS Name: N6-(4-hexylphenyl)-N4,N4-dimethyl-2-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine-4,6-diamine IUPAC Name: 6-N-(4-hexylphenyl)-4-N,4-N-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine Traditional Name: [6-(4-hexylanilino)-2-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]-dimethyl-amine Formula: C27H37N7 MolecularWeight: 459.62958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)NC2=CC(=NC(=N2)N3CCN(CC3)C4=CC=CC=N4)N(C)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)NC2=CC(=NC(=N2)N3CCN(CC3)C4=CC=CC=N4)N(C)C

InChI

InChI=1S/C27H37N7/c1-4-5-6-7-10-22-12-14-23(15-13-22)29-24-21-26(32(2)3)31-27(30-24)34-19-17-33(18-20-34)25-11-8-9-16-28-25/h8-9,11-16,21H,4-7,10,17-20H2,1-3H3,(H,29,30,31)