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

Systemtic Name: 2-(phenylmethylsulfanyl)-5-(2-pyridin-4-ylethyl)-1H-pyrimidin-6-one Openeye Name: 2-benzylsulfanyl-5-[2-(4-pyridyl)ethyl]-1H-pyrimidin-6-one CAS Name: 2-(phenylmethylthio)-5-(2-pyridin-4-ylethyl)-1H-pyrimidin-6-one IUPAC Name: 2-benzylsulfanyl-5-(2-pyridin-4-ylethyl)-1H-pyrimidin-6-one Traditional Name: 2-(benzylthio)-5-[2-(4-pyridyl)ethyl]-1H-pyrimidin-6-one Formula: C18H17N3OS MolecularWeight: 323.41208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C(C(=O)N2)CCC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(C(=O)N2)CCC3=CC=NC=C3

InChI

InChI=1S/C18H17N3OS/c22-17-16(7-6-14-8-10-19-11-9-14)12-20-18(21-17)23-13-15-4-2-1-3-5-15/h1-5,8-12H,6-7,13H2,(H,20,21,22)