N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylthio)-4-propyl-5-pyrimidinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide Traditional Name: N-homoveratryl-2-(methylthio)-4-propyl-pyrimidine-5-carboxamide Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)NCCC2=CC(=C(C=C2)OC)OC)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NCCC2=CC(=C(C=C2)OC)OC)SC

InChI

InChI=1S/C19H25N3O3S/c1-5-6-15-14(12-21-19(22-15)26-4)18(23)20-10-9-13-7-8-16(24-2)17(11-13)25-3/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,20,23)