2-[(E)-1-(4-bromanylthiophen-2-yl)-3-morpholin-4-yl-3-oxidanylidene-prop-1-en-2-yl]-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(E)-1-(4-bromanylthiophen-2-yl)-3-morpholin-4-yl-3-oxidanylidene-prop-1-en-2-yl]-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(E)-2-(4-bromo-2-thienyl)-1-(morpholine-4-carbonyl)vinyl]-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(E)-1-(4-bromo-2-thiophenyl)-3-(4-morpholinyl)-3-oxoprop-1-en-2-yl]-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(E)-1-(4-bromothiophen-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(E)-2-(4-bromo-2-thienyl)-1-(morpholine-4-carbonyl)vinyl]-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H20BrN3O3S2 MolecularWeight: 494.4251

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)NC(=N2)C(=CC3=CC(=CS3)Br)C(=O)N4CCOCC4)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)NC(=N2)/C(=C\C3=CC(=CS3)Br)/C(=O)N4CCOCC4)C

InChI

InChI=1S/C20H20BrN3O3S2/c1-3-14-11(2)29-19-16(14)18(25)22-17(23-19)15(9-13-8-12(21)10-28-13)20(26)24-4-6-27-7-5-24/h8-10H,3-7H2,1-2H3,(H,22,23,25)/b15-9+