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

Systemtic Name: 5-nitro-N4-(3-nitrophenyl)-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(3-nitrophenyl)-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-5-nitro-4-N-(3-nitrophenyl)pyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amine Formula: C17H14N6O4 MolecularWeight: 366.33086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O4/c24-22(25)14-8-4-7-13(9-14)21-17-15(23(26)27)16(19-11-20-17)18-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H2,18,19,20,21)