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

Systemtic Name: N6-(4-methoxyphenyl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(4-methoxyphenyl)-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(4-methoxyphenyl)-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(4-methoxyphenyl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-(p-anisidino)pyrimidin-4-yl]-(2-pyridyl)amine Formula: C23H20N6O3 MolecularWeight: 428.4433

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N6O3/c1-32-19-12-10-18(11-13-19)27-22-21(29(30)31)23(26-16-25-22)28(20-9-5-6-14-24-20)15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,25,26,27)