2-(phenylmethylsulfanyl)-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-(phenylmethylsulfanyl)-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-benzylsulfanyl-5-(4-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-(phenylmethylthio)-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-benzylsulfanyl-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-(benzylthio)-5-(4-pyridylmethyl)-1H-pyrimidin-6-one Formula: C17H15N3OS MolecularWeight: 309.3855

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3OS/c21-16-15(10-13-6-8-18-9-7-13)11-19-17(20-16)22-12-14-4-2-1-3-5-14/h1-9,11H,10,12H2,(H,19,20,21)