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

Systemtic Name: 2-(phenylmethylsulfanyl)-1-(2-pyridin-2-ylethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-1-[2-(2-pyridyl)ethyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-(phenylmethylthio)-1-[2-(2-pyridinyl)ethyl]-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-1-(2-pyridin-2-ylethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-(benzylthio)-1-[2-(2-pyridyl)ethyl]-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C(=CN2CCC3=CC=CC=N3)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C(=CN2CCC3=CC=CC=N3)CC4=CN=CN=C4

InChI

InChI=1S/C23H21N5OS/c29-22-20(12-19-13-24-17-25-14-19)15-28(11-9-21-8-4-5-10-26-21)23(27-22)30-16-18-6-2-1-3-7-18/h1-8,10,13-15,17H,9,11-12,16H2