2-phenacylsulfanyl-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-phenacylsulfanyl-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-phenacylsulfanyl-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-(phenacylthio)-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-phenacylsulfanyl-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-(phenacylthio)-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O2S/c22-16(14-6-2-1-3-7-14)12-24-18-20-11-15(17(23)21-18)9-13-5-4-8-19-10-13/h1-8,10-11H,9,12H2,(H,20,21,23)