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

Systemtic Name: 5-(phenylmethyl)-2-(phenylmethylsulfanyl)-1-(pyridin-4-ylmethyl)pyrimidin-4-one Openeye Name: 5-benzyl-2-benzylsulfanyl-1-(4-pyridylmethyl)pyrimidin-4-one CAS Name: 5-(phenylmethyl)-2-(phenylmethylthio)-1-(pyridin-4-ylmethyl)-4-pyrimidinone IUPAC Name: 5-benzyl-2-benzylsulfanyl-1-(pyridin-4-ylmethyl)pyrimidin-4-one Traditional Name: 5-benzyl-2-(benzylthio)-1-(4-pyridylmethyl)pyrimidin-4-one Formula: C24H21N3OS MolecularWeight: 399.50804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN(C(=NC2=O)SCC3=CC=CC=C3)CC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN(C(=NC2=O)SCC3=CC=CC=C3)CC4=CC=NC=C4

InChI

InChI=1S/C24H21N3OS/c28-23-22(15-19-7-3-1-4-8-19)17-27(16-20-11-13-25-14-12-20)24(26-23)29-18-21-9-5-2-6-10-21/h1-14,17H,15-16,18H2