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

Systemtic Name: N4-(1-methoxypropan-2-yl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine Openeye Name: N4-(2-methoxy-1-methyl-ethyl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine CAS Name: N4-(1-methoxypropan-2-yl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(1-methoxypropan-2-yl)-5-nitro-6-N-(3-nitrophenyl)pyrimidine-4,6-diamine Traditional Name: (2-methoxy-1-methyl-ethyl)-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amine Formula: C14H16N6O5 MolecularWeight: 348.31404

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N6O5/c1-9(7-25-2)17-13-12(20(23)24)14(16-8-15-13)18-10-4-3-5-11(6-10)19(21)22/h3-6,8-9H,7H2,1-2H3,(H2,15,16,17,18)