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

Systemtic Name: 5-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-propylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-propylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-propylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-propylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-homoveratryl-2-propylsulfonyl-pyrimidine-4-carboxamide Formula: C18H22ClN3O5S MolecularWeight: 427.90238

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)Cl

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)Cl

InChI

InChI=1S/C18H22ClN3O5S/c1-4-9-28(24,25)18-21-11-13(19)16(22-18)17(23)20-8-7-12-5-6-14(26-2)15(10-12)27-3/h5-6,10-11H,4,7-9H2,1-3H3,(H,20,23)