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

Systemtic Name: 2-butan-2-ylsulfanyl-5-chloranyl-6-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 6-benzyl-5-chloro-2-sec-butylsulfanyl-1H-pyrimidin-4-one CAS Name: 2-(butan-2-ylthio)-5-chloro-6-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 6-benzyl-2-butan-2-ylsulfanyl-5-chloro-1H-pyrimidin-4-one Traditional Name: 6-benzyl-5-chloro-2-(sec-butylthio)-1H-pyrimidin-4-one Formula: C15H17ClN2OS MolecularWeight: 308.82628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C(=C(N1)CC2=CC=CC=C2)Cl

Isomeric SMILES

CCC(C)SC1=NC(=O)C(=C(N1)CC2=CC=CC=C2)Cl

InChI

InChI=1S/C15H17ClN2OS/c1-3-10(2)20-15-17-12(13(16)14(19)18-15)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,17,18,19)