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

Systemtic Name: N4-(5-chloranylpyridin-2-yl)-N6-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2-pyridyl)-N6-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2-pyridinyl)-N6-[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloropyridin-2-yl)-6-N-[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: (5-chloro-2-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=NC=C(C=C3)Cl

Isomeric SMILES

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

InChI

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