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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O2S/c1-12(2)6-7-20-16(23)9-15-10-17(24)22-18(21-15)25-11-13-4-3-5-14(19)8-13/h3-5,8,10,12H,6-7,9,11H2,1-2H3,(H,20,23)(H,21,22,24)