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

Systemtic Name: N6-butyl-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine Openeye Name: N6-butyl-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine CAS Name: N6-butyl-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-5-nitro-4-N-(3-nitrophenyl)pyrimidine-4,6-diamine Traditional Name: butyl-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amine Formula: C14H16N6O4 MolecularWeight: 332.31464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N6O4/c1-2-3-7-15-13-12(20(23)24)14(17-9-16-13)18-10-5-4-6-11(8-10)19(21)22/h4-6,8-9H,2-3,7H2,1H3,(H2,15,16,17,18)