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

Systemtic Name: 3-(5,6-dimethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoic acid Openeye Name: 3-(5,6-dimethyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoic acid CAS Name: 3-[(5,6-dimethyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]propanoic acid IUPAC Name: 3-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(4-keto-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]propionic acid Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S2/c1-10-11(2)24-15-14(10)16(22)19(12-6-4-3-5-7-12)17(18-15)23-9-8-13(20)21/h3-7H,8-9H2,1-2H3,(H,20,21)