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

Systemtic Name: 2-(phenylmethylsulfanyl)-1-(pyridin-2-ylmethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-1-(2-pyridylmethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-(phenylmethylthio)-1-(2-pyridinylmethyl)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-1-(pyridin-2-ylmethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-(benzylthio)-1-(2-pyridylmethyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C(=CN2CC3=CC=CC=N3)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C(=CN2CC3=CC=CC=N3)CC4=CN=CN=C4

InChI

InChI=1S/C22H19N5OS/c28-21-19(10-18-11-23-16-24-12-18)13-27(14-20-8-4-5-9-25-20)22(26-21)29-15-17-6-2-1-3-7-17/h1-9,11-13,16H,10,14-15H2