N4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine Openeye Name: N4-(4,5-dimethylthiazol-2-yl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine CAS Name: N4-(4,5-dimethyl-2-thiazolyl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-6-N-(3-nitrophenyl)pyrimidine-4,6-diamine Traditional Name: (4,5-dimethylthiazol-2-yl)-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amine Formula: C15H13N7O4S MolecularWeight: 387.37322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C15H13N7O4S/c1-8-9(2)27-15(18-8)20-14-12(22(25)26)13(16-7-17-14)19-10-4-3-5-11(6-10)21(23)24/h3-7H,1-2H3,(H2,16,17,18,19,20)