N6-ethyl-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine

Systemtic Name: N6-ethyl-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine Openeye Name: N6-ethyl-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine CAS Name: N6-ethyl-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-ethyl-5-nitro-4-N-(3-nitrophenyl)pyrimidine-4,6-diamine Traditional Name: ethyl-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amine Formula: C12H12N6O4 MolecularWeight: 304.26148

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N6O4/c1-2-13-11-10(18(21)22)12(15-7-14-11)16-8-4-3-5-9(6-8)17(19)20/h3-7H,2H2,1H3,(H2,13,14,15,16)