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

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-5-nitro-6-N-(3-nitrophenyl)pyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amine Formula: C17H12N6O6 MolecularWeight: 396.31378

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N6O6/c24-22(25)12-3-1-2-10(6-12)20-16-15(23(26)27)17(19-8-18-16)21-11-4-5-13-14(7-11)29-9-28-13/h1-8H,9H2,(H2,18,19,20,21)