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

Systemtic Name: 2-(phenylmethylsulfanyl)-5-(pyrimidin-5-ylmethyl)-1-(thiophen-2-ylmethyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-(pyrimidin-5-ylmethyl)-1-(2-thienylmethyl)pyrimidin-4-one CAS Name: 2-(phenylmethylthio)-5-(5-pyrimidinylmethyl)-1-(thiophen-2-ylmethyl)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-5-(pyrimidin-5-ylmethyl)-1-(thiophen-2-ylmethyl)pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-(5-pyrimidylmethyl)-1-(2-thenyl)pyrimidin-4-one Formula: C21H18N4OS2 MolecularWeight: 406.52382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C(=CN2CC3=CC=CS3)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C(=CN2CC3=CC=CS3)CC4=CN=CN=C4

InChI

InChI=1S/C21H18N4OS2/c26-20-18(9-17-10-22-15-23-11-17)12-25(13-19-7-4-8-27-19)21(24-20)28-14-16-5-2-1-3-6-16/h1-8,10-12,15H,9,13-14H2