2-[1-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[1-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[1-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[1-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[1-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[1-[(3-allyl-4-keto-quinazolin-2-yl)thio]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H20N4O2S2 MolecularWeight: 472.5819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)SC4=NC5=CC=CC=C5C(=O)N4CC=C

Isomeric SMILES

CC(C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)SC4=NC5=CC=CC=C5C(=O)N4CC=C

InChI

InChI=1S/C25H20N4O2S2/c1-3-13-29-24(31)17-11-7-8-12-19(17)26-25(29)33-15(2)21-27-22(30)20-18(14-32-23(20)28-21)16-9-5-4-6-10-16/h3-12,14-15H,1,13H2,2H3,(H,27,28,30)