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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)C

Isomeric SMILES

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)C

InChI

InChI=1S/C21H21ClN4O2S2/c1-4-10(2)7-13-11(3)30-20-17(13)19(28)25-21(26-20)29-9-16-23-15-6-5-12(22)8-14(15)18(27)24-16/h5-6,8,10H,4,7,9H2,1-3H3,(H,23,24,27)(H,25,26,28)