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

Systemtic Name: N4-(2,4-dimethoxyphenyl)-5-nitro-N6-pyridin-4-yl-pyrimidine-4,6-diamine Openeye Name: N4-(2,4-dimethoxyphenyl)-5-nitro-N6-(4-pyridyl)pyrimidine-4,6-diamine CAS Name: N4-(2,4-dimethoxyphenyl)-5-nitro-N6-pyridin-4-ylpyrimidine-4,6-diamine IUPAC Name: 4-N-(2,4-dimethoxyphenyl)-5-nitro-6-N-pyridin-4-ylpyrimidine-4,6-diamine Traditional Name: [6-(2,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]-(4-pyridyl)amine Formula: C17H16N6O4 MolecularWeight: 368.34674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=NC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=NC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H16N6O4/c1-26-12-3-4-13(14(9-12)27-2)22-17-15(23(24)25)16(19-10-20-17)21-11-5-7-18-8-6-11/h3-10H,1-2H3,(H2,18,19,20,21,22)