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

Systemtic Name: N4-(3-methylpyridin-2-yl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(3-methyl-2-pyridyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N4-(3-methyl-2-pyridinyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-methylpyridin-2-yl)-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: (3-methyl-2-pyridyl)-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C22H18N6O3 MolecularWeight: 414.41672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H18N6O3/c1-15-6-5-13-23-20(15)27-22-19(28(29)30)21(24-14-25-22)26-16-9-11-18(12-10-16)31-17-7-3-2-4-8-17/h2-14H,1H3,(H2,23,24,25,26,27)