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

Systemtic Name: 2-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylthio]-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methylthio]-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H13ClN4O2S2 MolecularWeight: 452.93652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl)SC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl)SC=C3

InChI

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