2-butylsulfanyl-5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-butylsulfanyl-5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-butylsulfanyl-5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(butylthio)-5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-butylsulfanyl-5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(butylthio)-5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H18N2O2S2 MolecularWeight: 346.46702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=CS2)C3=CC=C(C=C3)OC)C(=O)N1

Isomeric SMILES

CCCCSC1=NC2=C(C(=CS2)C3=CC=C(C=C3)OC)C(=O)N1

InChI

InChI=1S/C17H18N2O2S2/c1-3-4-9-22-17-18-15(20)14-13(10-23-16(14)19-17)11-5-7-12(21-2)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,18,19,20)