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

Systemtic Name: N6-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C24H21ClN6O4 MolecularWeight: 492.91434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C24H21ClN6O4/c1-34-19-13-20(35-2)18(12-17(19)25)29-23-22(31(32)33)24(28-15-27-23)30(21-10-6-7-11-26-21)14-16-8-4-3-5-9-16/h3-13,15H,14H2,1-2H3,(H,27,28,29)