2-(phenylmethylsulfanyl)-1-(2-pyridin-3-ylethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-(phenylmethylsulfanyl)-1-(2-pyridin-3-ylethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-1-[2-(3-pyridyl)ethyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-(phenylmethylthio)-1-[2-(3-pyridinyl)ethyl]-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-1-(2-pyridin-3-ylethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-(benzylthio)-1-[2-(3-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=CN=CC=C3)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C(=CN2CCC3=CN=CC=C3)CC4=CN=CN=C4

InChI

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