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

Systemtic Name: 5-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(ethylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(ethylthio)-N-homoveratryl-pyrimidine-4-carboxamide Formula: C17H20ClN3O3S MolecularWeight: 381.877

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)Cl

InChI

InChI=1S/C17H20ClN3O3S/c1-4-25-17-20-10-12(18)15(21-17)16(22)19-8-7-11-5-6-13(23-2)14(9-11)24-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,19,22)