5-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfonyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-homoveratryl-2-mesyl-pyrimidine-4-carboxamide Formula: C16H18ClN3O5S MolecularWeight: 399.84922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)C)OC

InChI

InChI=1S/C16H18ClN3O5S/c1-24-12-5-4-10(8-13(12)25-2)6-7-18-15(21)14-11(17)9-19-16(20-14)26(3,22)23/h4-5,8-9H,6-7H2,1-3H3,(H,18,21)