3-[5,6-dimethyl-4-oxidanylidene-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[5,6-dimethyl-4-oxidanylidene-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanoic acid Openeye Name: 3-[5,6-dimethyl-4-oxo-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanoic acid CAS Name: 3-[[5,6-dimethyl-4-oxo-3-(1-phenylethyl)-2-thieno[2,3-d]pyrimidinyl]thio]propanoic acid IUPAC Name: 3-[5,6-dimethyl-4-oxo-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[4-keto-5,6-dimethyl-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-yl]thio]propionic acid Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCCC(=O)O)C(C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCCC(=O)O)C(C)C3=CC=CC=C3)C

InChI

InChI=1S/C19H20N2O3S2/c1-11-13(3)26-17-16(11)18(24)21(12(2)14-7-5-4-6-8-14)19(20-17)25-10-9-15(22)23/h4-8,12H,9-10H2,1-3H3,(H,22,23)