N-(3-cyclopentyloxyphenyl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide

Systemtic Name: N-(3-cyclopentyloxyphenyl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-[3-(cyclopentoxy)phenyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-(3-cyclopentyloxyphenyl)-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-(3-cyclopentyloxyphenyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-[3-(cyclopentoxy)phenyl]-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC(=CC=C2)OC3CCCC3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC(=CC=C2)OC3CCCC3

InChI

InChI=1S/C21H27N3O2S/c1-14-19(15(2)23-21(22-14)27-3)11-12-20(25)24-16-7-6-10-18(13-16)26-17-8-4-5-9-17/h6-7,10,13,17H,4-5,8-9,11-12H2,1-3H3,(H,24,25)