5-(4-bromophenyl)-2-(quinazolin-4-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-bromophenyl)-2-(quinazolin-4-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-2-(quinazolin-4-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-2-[(4-quinazolinylthio)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-bromophenyl)-2-(quinazolin-4-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-2-[(quinazolin-4-ylthio)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H13BrN4OS2 MolecularWeight: 481.38812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)SCC3=NC4=C(C(=CS4)C5=CC=C(C=C5)Br)C(=O)N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)SCC3=NC4=C(C(=CS4)C5=CC=C(C=C5)Br)C(=O)N3

InChI

InChI=1S/C21H13BrN4OS2/c22-13-7-5-12(6-8-13)15-9-28-21-18(15)19(27)25-17(26-21)10-29-20-14-3-1-2-4-16(14)23-11-24-20/h1-9,11H,10H2,(H,25,26,27)