6-chloranyl-5-(phenylmethyl)-2-propylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-chloranyl-5-(phenylmethyl)-2-propylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-benzyl-6-chloro-2-propylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-chloro-5-(phenylmethyl)-2-(propylthio)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-6-chloro-2-propylsulfanyl-1H-pyrimidin-4-one Traditional Name: 5-benzyl-6-chloro-2-(propylthio)-1H-pyrimidin-4-one Formula: C14H15ClN2OS MolecularWeight: 294.7997

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=O)C(=C(N1)Cl)CC2=CC=CC=C2

Isomeric SMILES

CCCSC1=NC(=O)C(=C(N1)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C14H15ClN2OS/c1-2-8-19-14-16-12(15)11(13(18)17-14)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,16,17,18)