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

Systemtic Name: 6-chloranyl-5-(phenylmethyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 5-benzyl-2-benzylsulfanyl-6-chloro-1H-pyrimidin-4-one CAS Name: 6-chloro-5-(phenylmethyl)-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-2-benzylsulfanyl-6-chloro-1H-pyrimidin-4-one Traditional Name: 5-benzyl-2-(benzylthio)-6-chloro-1H-pyrimidin-4-one Formula: C18H15ClN2OS MolecularWeight: 342.8425

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(NC(=NC2=O)SCC3=CC=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(NC(=NC2=O)SCC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H15ClN2OS/c19-16-15(11-13-7-3-1-4-8-13)17(22)21-18(20-16)23-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21,22)