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

Systemtic Name: 2-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3-butyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(3-butyl-4-oxo-2-quinazolinyl)thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(3-butyl-4-keto-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:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC4=C(C(=C(S4)C)C)C(=O)N3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC4=C(C(=C(S4)C)C)C(=O)N3

InChI

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