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

Systemtic Name: 6-methyl-5-(2-methylbutyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-5-(2-methylbutyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-(2-methylbutyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-(2-methylbutyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methylthio]-6-methyl-5-(2-methylbutyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCC3=NC(=O)C4=CC=CC=C4N3)C

Isomeric SMILES

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCC3=NC(=O)C4=CC=CC=C4N3)C

InChI

InChI=1S/C21H22N4O2S2/c1-4-11(2)9-14-12(3)29-20-17(14)19(27)24-21(25-20)28-10-16-22-15-8-6-5-7-13(15)18(26)23-16/h5-8,11H,4,9-10H2,1-3H3,(H,22,23,26)(H,24,25,27)