2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]-3-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]-3-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H17N5OS2 MolecularWeight: 431.53328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC3=NC4=CC=CC=C4C(=N3)N)SC(=C2)C5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC3=NC4=CC=CC=C4C(=N3)N)SC(=C2)C5=CC=CC=C5

InChI

InChI=1S/C22H17N5OS2/c1-27-21(28)15-11-17(13-7-3-2-4-8-13)30-20(15)26-22(27)29-12-18-24-16-10-6-5-9-14(16)19(23)25-18/h2-11H,12H2,1H3,(H2,23,24,25)