5-nitro-N6-(3-nitrophenyl)-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-(3-nitrophenyl)-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-5-nitro-N6-(3-nitrophenyl)-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(3-nitrophenyl)-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-5-nitro-6-N-(3-nitrophenyl)-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]-(2-pyridyl)amine Formula: C22H17N7O4 MolecularWeight: 443.41488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N7O4/c30-28(31)18-10-6-9-17(13-18)26-21-20(29(32)33)22(25-15-24-21)27(19-11-4-5-12-23-19)14-16-7-2-1-3-8-16/h1-13,15H,14H2,(H,24,25,26)