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

Systemtic Name: 6-chloranyl-2-ethylsulfanyl-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 5-benzyl-6-chloro-2-ethylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-chloro-2-(ethylthio)-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-6-chloro-2-ethylsulfanyl-1H-pyrimidin-4-one Traditional Name: 5-benzyl-6-chloro-2-(ethylthio)-1H-pyrimidin-4-one Formula: C13H13ClN2OS MolecularWeight: 280.77312

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=O)C(=C(N1)Cl)CC2=CC=CC=C2

Isomeric SMILES

CCSC1=NC(=O)C(=C(N1)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C13H13ClN2OS/c1-2-18-13-15-11(14)10(12(17)16-13)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,15,16,17)