N6-(5-methyl-1,2-oxazol-3-yl)-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,5,6-triamine

Systemtic Name: N6-(5-methyl-1,2-oxazol-3-yl)-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,5,6-triamine Openeye Name: N4-benzyl-N6-(5-methylisoxazol-3-yl)-N4-(2-pyridyl)pyrimidine-4,5,6-triamine CAS Name: N6-(5-methyl-3-isoxazolyl)-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-benzyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-[(5-methylisoxazol-3-yl)amino]pyrimidin-4-yl]-benzyl-(2-pyridyl)amine Formula: C20H19N7O MolecularWeight: 373.41116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)N

Isomeric SMILES

CC1=CC(=NO1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)N

InChI

InChI=1S/C20H19N7O/c1-14-11-16(26-28-14)25-19-18(21)20(24-13-23-19)27(17-9-5-6-10-22-17)12-15-7-3-2-4-8-15/h2-11,13H,12,21H2,1H3,(H,23,24,25,26)