2-[(4-chlorophenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-6-propyl-1H-pyrimidin-4-one Formula: C14H15ClN2OS MolecularWeight: 294.7997

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H15ClN2OS/c1-2-3-12-8-13(18)17-14(16-12)19-9-10-4-6-11(15)7-5-10/h4-8H,2-3,9H2,1H3,(H,16,17,18)