2-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylthio]-3-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methylthio]-3-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H15ClN4O2S2 MolecularWeight: 466.9631

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)SC=C2C5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)SC=C2C5=CC=CC=C5

InChI

InChI=1S/C22H15ClN4O2S2/c1-27-21(29)18-15(12-5-3-2-4-6-12)10-30-20(18)26-22(27)31-11-17-24-16-9-13(23)7-8-14(16)19(28)25-17/h2-10H,11H2,1H3,(H,24,25,28)