2-[(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]methyl]-5,6-dimethyl-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)N1C(=O)C2=CC=CC=C2N=C1SCC3=NC4=C(C(=C(S4)C)C)C(=O)N3

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=NC4=C(C(=C(S4)C)C)C(=O)N3

InChI

InChI=1S/C21H22N4O2S2/c1-5-11(2)25-20(27)14-8-6-7-9-15(14)22-21(25)28-10-16-23-18(26)17-12(3)13(4)29-19(17)24-16/h6-9,11H,5,10H2,1-4H3,(H,23,24,26)