2-[[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C21H13ClN4O2S2 MolecularWeight: 452.93652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=NC(=O)C4=C(N3)C=CS4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=NC(=O)C4=C(N3)C=CS4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C21H13ClN4O2S2/c22-12-4-3-5-13(10-12)26-20(28)14-6-1-2-7-15(14)24-21(26)30-11-17-23-16-8-9-29-18(16)19(27)25-17/h1-10H,11H2,(H,23,25,27)