2-(2-hydroxyethylsulfanyl)-3-phenethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(2-hydroxyethylsulfanyl)-3-phenethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(2-hydroxyethylsulfanyl)-3-phenethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(2-hydroxyethylthio)-3-phenethyl-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(2-hydroxyethylsulfanyl)-3-phenethyl-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(2-hydroxyethylthio)-3-phenethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H20N2O2S2 MolecularWeight: 408.5364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(N=C2SCCO)SC=C3C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(N=C2SCCO)SC=C3C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O2S2/c25-13-14-27-22-23-20-19(18(15-28-20)17-9-5-2-6-10-17)21(26)24(22)12-11-16-7-3-1-4-8-16/h1-10,15,25H,11-14H2