N4-(2-methoxy-5-methyl-phenyl)-N6-(5-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2-methoxy-5-methyl-phenyl)-N6-(5-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-methoxy-5-methyl-phenyl)-N6-(5-methyl-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-methoxy-5-methylphenyl)-N6-(5-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2-methoxy-5-methylphenyl)-6-N-(5-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2-methoxy-5-methyl-anilino)-5-nitro-pyrimidin-4-yl]-(5-methyl-2-pyridyl)amine Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=C(C(=NC=N2)NC3=NC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=C(C(=NC=N2)NC3=NC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O3/c1-11-4-6-14(27-3)13(8-11)22-17-16(24(25)26)18(21-10-20-17)23-15-7-5-12(2)9-19-15/h4-10H,1-3H3,(H2,19,20,21,22,23)