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

Systemtic Name: N4-(3-methylpyridin-2-yl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine Openeye Name: N4-(3-methyl-2-pyridyl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine CAS Name: N4-(3-methyl-2-pyridinyl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-methylpyridin-2-yl)-5-nitro-6-N-(3-nitrophenyl)pyrimidine-4,6-diamine Traditional Name: (3-methyl-2-pyridyl)-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amine Formula: C16H13N7O4 MolecularWeight: 367.31892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N7O4/c1-10-4-3-7-17-14(10)21-16-13(23(26)27)15(18-9-19-16)20-11-5-2-6-12(8-11)22(24)25/h2-9H,1H3,(H2,17,18,19,20,21)