1-phenethyl-5-(pyrimidin-5-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)pyrimidin-4-one

Systemtic Name: 1-phenethyl-5-(pyrimidin-5-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)pyrimidin-4-one Openeye Name: 1-phenethyl-5-(pyrimidin-5-ylmethyl)-2-(2-thienylmethylsulfanyl)pyrimidin-4-one CAS Name: 1-phenethyl-5-(5-pyrimidinylmethyl)-2-(thiophen-2-ylmethylthio)-4-pyrimidinone IUPAC Name: 1-phenethyl-5-(pyrimidin-5-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)pyrimidin-4-one Traditional Name: 1-phenethyl-5-(5-pyrimidylmethyl)-2-(2-thenylthio)pyrimidin-4-one Formula: C22H20N4OS2 MolecularWeight: 420.5504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=C(C(=O)N=C2SCC3=CC=CS3)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=C(C(=O)N=C2SCC3=CC=CS3)CC4=CN=CN=C4

InChI

InChI=1S/C22H20N4OS2/c27-21-19(11-18-12-23-16-24-13-18)14-26(9-8-17-5-2-1-3-6-17)22(25-21)29-15-20-7-4-10-28-20/h1-7,10,12-14,16H,8-9,11,15H2