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

Systemtic Name: N4-(5-methyl-1,2-oxazol-3-yl)-N6-(5-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-methylisoxazol-3-yl)-N6-(5-methyl-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-methyl-3-isoxazolyl)-N6-(5-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(5-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (5-methylisoxazol-3-yl)-[6-[(5-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C14H13N7O3 MolecularWeight: 327.29812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC2=C(C(=NC=N2)NC3=NOC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CN=C(C=C1)NC2=C(C(=NC=N2)NC3=NOC(=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C14H13N7O3/c1-8-3-4-10(15-6-8)18-13-12(21(22)23)14(17-7-16-13)19-11-5-9(2)24-20-11/h3-7H,1-2H3,(H2,15,16,17,18,19,20)