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

Systemtic Name: N6-(5-methylpyridin-2-yl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(5-methyl-2-pyridyl)-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(5-methyl-2-pyridinyl)-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(5-methylpyridin-2-yl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-[(5-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C22H19N7O2 MolecularWeight: 413.43196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=CN=C(C=C1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N7O2/c1-16-10-11-18(24-13-16)27-21-20(29(30)31)22(26-15-25-21)28(19-9-5-6-12-23-19)14-17-7-3-2-4-8-17/h2-13,15H,14H2,1H3,(H,24,25,26,27)