2-chloranyl-N-[3-(4,6-dimethoxypyrimidin-2-yl)oxypropyl]-5-nitro-benzenecarbothioamide

Systemtic Name: 2-chloranyl-N-[3-(4,6-dimethoxypyrimidin-2-yl)oxypropyl]-5-nitro-benzenecarbothioamide Openeye Name: 2-chloro-N-[3-(4,6-dimethoxypyrimidin-2-yl)oxypropyl]-5-nitro-benzenecarbothioamide CAS Name: 2-chloro-N-[3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]propyl]-5-nitrobenzenecarbothioamide IUPAC Name: 2-chloro-N-[3-(4,6-dimethoxypyrimidin-2-yl)oxypropyl]-5-nitrobenzenecarbothioamide Traditional Name: 2-chloro-N-[3-(4,6-dimethoxypyrimidin-2-yl)oxypropyl]-5-nitro-thiobenzamide Formula: C16H17ClN4O5S MolecularWeight: 412.84798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OCCCNC(=S)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OCCCNC(=S)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C16H17ClN4O5S/c1-24-13-9-14(25-2)20-16(19-13)26-7-3-6-18-15(27)11-8-10(21(22)23)4-5-12(11)17/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,27)