6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N4-(6-methylpyridin-2-yl)pyrimidine-4,5-diamine

Systemtic Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N4-(6-methylpyridin-2-yl)pyrimidine-4,5-diamine Openeye Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N4-(6-methyl-2-pyridyl)pyrimidine-4,5-diamine CAS Name: 6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-N4-(6-methyl-2-pyridinyl)pyrimidine-4,5-diamine IUPAC Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(6-methylpyridin-2-yl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(2,3-dimethylphenyl)piperazino]pyrimidin-4-yl]-(6-methyl-2-pyridyl)amine Formula: C22H27N7 MolecularWeight: 389.49668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=CC(=N4)C)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=CC(=N4)C)N)C

InChI

InChI=1S/C22H27N7/c1-15-6-4-8-18(17(15)3)28-10-12-29(13-11-28)22-20(23)21(24-14-25-22)27-19-9-5-7-16(2)26-19/h4-9,14H,10-13,23H2,1-3H3,(H,24,25,26,27)