(4-bromanyl-2-chloranyl-phenyl) 3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoate

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: (4-bromo-2-chloro-phenyl) 3-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 3-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)propanoic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 3-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)propionic acid (4-bromo-2-chloro-phenyl) ester Formula: C17H14BrClN2O3S MolecularWeight: 441.72666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)OC3=C(C=C(C=C3)Br)Cl)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)OC3=C(C=C(C=C3)Br)Cl)C

InChI

InChI=1S/C17H14BrClN2O3S/c1-9-10(2)25-16-15(9)17(23)21(8-20-16)6-5-14(22)24-13-4-3-11(18)7-12(13)19/h3-4,7-8H,5-6H2,1-2H3