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

Systemtic Name: 5-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-propylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-propylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(propylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-propylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-homoveratryl-2-(propylthio)pyrimidine-4-carboxamide Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)Cl

InChI

InChI=1S/C18H22ClN3O3S/c1-4-9-26-18-21-11-13(19)16(22-18)17(23)20-8-7-12-5-6-14(24-2)15(10-12)25-3/h5-6,10-11H,4,7-9H2,1-3H3,(H,20,23)