N6-(6-methylpyridin-2-yl)-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,5,6-triamine

Systemtic Name: N6-(6-methylpyridin-2-yl)-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,5,6-triamine Openeye Name: N4-benzyl-N6-(6-methyl-2-pyridyl)-N4-(2-pyridyl)pyrimidine-4,5,6-triamine CAS Name: N6-(6-methyl-2-pyridinyl)-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-benzyl-6-N-(6-methylpyridin-2-yl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-[(6-methyl-2-pyridyl)amino]pyrimidin-4-yl]-benzyl-(2-pyridyl)amine Formula: C22H21N7 MolecularWeight: 383.44904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)N

Isomeric SMILES

CC1=NC(=CC=C1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)N

InChI

InChI=1S/C22H21N7/c1-16-8-7-11-18(27-16)28-21-20(23)22(26-15-25-21)29(19-12-5-6-13-24-19)14-17-9-3-2-4-10-17/h2-13,15H,14,23H2,1H3,(H,25,26,27,28)