N6-(2-methoxy-5-methyl-phenyl)-N4-(3-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(2-methoxy-5-methyl-phenyl)-N4-(3-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2-methoxy-5-methyl-phenyl)-N4-(3-methyl-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2-methoxy-5-methylphenyl)-N4-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2-methoxy-5-methylphenyl)-4-N-(3-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2-methoxy-5-methyl-anilino)-5-nitro-pyrimidin-4-yl]-(3-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=C(C=CC=N3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=C(C(=NC=N2)NC3=C(C=CC=N3)C)[N+](=O)[O-]

InChI

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