3-butyl-2-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-butyl-2-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-butyl-2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-butyl-2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylthio]-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-butyl-2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-butyl-2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methylthio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H21ClN4O2S2 MolecularWeight: 461.00004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)SC(=C2C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)SC(=C2C)C

InChI

InChI=1S/C21H21ClN4O2S2/c1-4-5-8-26-20(28)17-11(2)12(3)30-19(17)25-21(26)29-10-16-23-15-9-13(22)6-7-14(15)18(27)24-16/h6-7,9H,4-5,8,10H2,1-3H3,(H,23,24,27)