N6-[(2-chlorophenyl)methyl]-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine

Systemtic Name: N6-[(2-chlorophenyl)methyl]-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine Openeye Name: N6-[(2-chlorophenyl)methyl]-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine CAS Name: N6-[(2-chlorophenyl)methyl]-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[(2-chlorophenyl)methyl]-5-nitro-4-N-(3-nitrophenyl)pyrimidine-4,6-diamine Traditional Name: (2-chlorobenzyl)-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amine Formula: C17H13ClN6O4 MolecularWeight: 400.77592

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN6O4/c18-14-7-2-1-4-11(14)9-19-16-15(24(27)28)17(21-10-20-16)22-12-5-3-6-13(8-12)23(25)26/h1-8,10H,9H2,(H2,19,20,21,22)