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

Systemtic Name: N4,N4-dimethyl-N6-(4-octylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dimethyl-N6-(4-octylphenyl)-2-[4-(2-pyridyl)piperazin-1-yl]pyrimidine-4,6-diamine CAS Name: N4,N4-dimethyl-N6-(4-octylphenyl)-2-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dimethyl-6-N-(4-octylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine Traditional Name: dimethyl-[6-(4-octylanilino)-2-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C29H41N7 MolecularWeight: 487.68274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)NC2=CC(=NC(=N2)N3CCN(CC3)C4=CC=CC=N4)N(C)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)NC2=CC(=NC(=N2)N3CCN(CC3)C4=CC=CC=N4)N(C)C

InChI

InChI=1S/C29H41N7/c1-4-5-6-7-8-9-12-24-14-16-25(17-15-24)31-26-23-28(34(2)3)33-29(32-26)36-21-19-35(20-22-36)27-13-10-11-18-30-27/h10-11,13-18,23H,4-9,12,19-22H2,1-3H3,(H,31,32,33)