N-(2-chloranylpyridin-3-yl)-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(2-chloranylpyridin-3-yl)-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(2-chloro-3-pyridyl)-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(2-chloro-3-pyridinyl)-6-(3,4-dimethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(2-chloropyridin-3-yl)-6-(3,4-dimethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: (2-chloro-3-pyridyl)-[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C17H14ClN5O3 MolecularWeight: 371.77776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=C(N=CC=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=C(N=CC=C3)Cl)C

InChI

InChI=1S/C17H14ClN5O3/c1-10-5-6-12(8-11(10)2)26-17-14(23(24)25)16(20-9-21-17)22-13-4-3-7-19-15(13)18/h3-9H,1-2H3,(H,20,21,22)