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

Systemtic Name: N6-(4-methoxyphenyl)-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine Openeye Name: N6-(4-methoxyphenyl)-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine CAS Name: N6-(4-methoxyphenyl)-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(4-methoxyphenyl)-5-nitro-4-N-(3-nitrophenyl)pyrimidine-4,6-diamine Traditional Name: (4-methoxyphenyl)-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amine Formula: C17H14N6O5 MolecularWeight: 382.33026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O5/c1-28-14-7-5-11(6-8-14)20-16-15(23(26)27)17(19-10-18-16)21-12-3-2-4-13(9-12)22(24)25/h2-10H,1H3,(H2,18,19,20,21)