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

Systemtic Name: N4-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-(5-methylisoxazol-3-yl)-5-nitro-N6-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(5-methyl-3-isoxazolyl)-5-nitro-N6-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: (5-methylisoxazol-3-yl)-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amine Formula: C14H13N7O3 MolecularWeight: 327.29812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N7O3/c1-9-5-11(20-24-9)19-14-12(21(22)23)13(17-8-18-14)16-7-10-3-2-4-15-6-10/h2-6,8H,7H2,1H3,(H2,16,17,18,19,20)