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

Systemtic Name: 5-nitro-N6-(3-nitrophenyl)-N4-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-(3-nitrophenyl)-N4-thiazol-2-yl-pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(3-nitrophenyl)-N4-(2-thiazolyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-(3-nitrophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]-thiazol-2-yl-amine Formula: C13H9N7O4S MolecularWeight: 359.32006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC2=C(C(=NC=N2)NC3=NC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC2=C(C(=NC=N2)NC3=NC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N7O4S/c21-19(22)9-3-1-2-8(6-9)17-11-10(20(23)24)12(16-7-15-11)18-13-14-4-5-25-13/h1-7H,(H2,14,15,16,17,18)