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

Systemtic Name: 5-nitro-N6-phenyl-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-5-nitro-N6-phenyl-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-phenyl-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-5-nitro-6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: (6-anilino-5-nitro-pyrimidin-4-yl)-benzyl-(2-pyridyl)amine Formula: C22H18N6O2 MolecularWeight: 398.41732

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N6O2/c29-28(30)20-21(26-18-11-5-2-6-12-18)24-16-25-22(20)27(19-13-7-8-14-23-19)15-17-9-3-1-4-10-17/h1-14,16H,15H2,(H,24,25,26)