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

Systemtic Name: N6-[(4-methoxyphenyl)methyl]-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-[(4-methoxyphenyl)methyl]-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-[(4-methoxyphenyl)methyl]-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-[(4-methoxyphenyl)methyl]-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]-(2-pyridyl)amine Formula: C24H22N6O3 MolecularWeight: 442.46988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N6O3/c1-33-20-12-10-18(11-13-20)15-26-23-22(30(31)32)24(28-17-27-23)29(21-9-5-6-14-25-21)16-19-7-3-2-4-8-19/h2-14,17H,15-16H2,1H3,(H,26,27,28)