N4-(2-chloranylpyridin-3-yl)-N6-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2-chloranylpyridin-3-yl)-N6-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-chloro-3-pyridyl)-N6-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-chloro-3-pyridinyl)-N6-[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2-chloropyridin-3-yl)-6-N-[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: (2-chloro-3-pyridyl)-[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]amine Formula: C17H15ClN6O3 MolecularWeight: 386.7924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(N=CC=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C17H15ClN6O3/c1-27-12-6-4-11(5-7-12)9-20-16-14(24(25)26)17(22-10-21-16)23-13-3-2-8-19-15(13)18/h2-8,10H,9H2,1H3,(H2,20,21,22,23)