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

Systemtic Name: N6-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(5-methylisoxazol-3-yl)-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(5-methyl-3-isoxazolyl)-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-[(5-methylisoxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C20H17N7O3 MolecularWeight: 403.39408

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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+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N7O3/c1-14-11-16(25-30-14)24-19-18(27(28)29)20(23-13-22-19)26(17-9-5-6-10-21-17)12-15-7-3-2-4-8-15/h2-11,13H,12H2,1H3,(H,22,23,24,25)