2-(phenylmethylsulfanyl)-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-(phenylmethylsulfanyl)-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-benzylsulfanyl-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-6-one CAS Name: 2-(phenylmethylthio)-5-(5-pyrimidinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-benzylsulfanyl-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-(benzylthio)-5-(5-pyrimidylmethyl)-1H-pyrimidin-6-one Formula: C16H14N4OS MolecularWeight: 310.37356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C(C(=O)N2)CC3=CN=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(C(=O)N2)CC3=CN=CN=C3

InChI

InChI=1S/C16H14N4OS/c21-15-14(6-13-7-17-11-18-8-13)9-19-16(20-15)22-10-12-4-2-1-3-5-12/h1-5,7-9,11H,6,10H2,(H,19,20,21)