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

Systemtic Name: 5-(2-chlorophenyl)-2-(quinazolin-4-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2-chlorophenyl)-2-(quinazolin-4-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-chlorophenyl)-2-[(4-quinazolinylthio)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(2-chlorophenyl)-2-(quinazolin-4-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2-chlorophenyl)-2-[(quinazolin-4-ylthio)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H13ClN4OS2 MolecularWeight: 436.93712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)SCC3=NC4=C(C(=CS4)C5=CC=CC=C5Cl)C(=O)N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)SCC3=NC4=C(C(=CS4)C5=CC=CC=C5Cl)C(=O)N3

InChI

InChI=1S/C21H13ClN4OS2/c22-15-7-3-1-5-12(15)14-9-28-21-18(14)19(27)25-17(26-21)10-29-20-13-6-2-4-8-16(13)23-11-24-20/h1-9,11H,10H2,(H,25,26,27)