2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-pentyl-ethanamide

Systemtic Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-pentyl-ethanamide Openeye Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-pentyl-acetamide CAS Name: 2-[2-[(3-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-pentylacetamide IUPAC Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-pentylacetamide Traditional Name: N-amyl-2-[2-[(3-chlorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetamide Formula: C18H22ClN3O2S MolecularWeight: 379.90418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CC1=CC(=O)N=C(N1)SCC2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCCNC(=O)CC1=CC(=O)N=C(N1)SCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H22ClN3O2S/c1-2-3-4-8-20-16(23)10-15-11-17(24)22-18(21-15)25-12-13-6-5-7-14(19)9-13/h5-7,9,11H,2-4,8,10,12H2,1H3,(H,20,23)(H,21,22,24)