3-[(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid

Systemtic Name: 3-[(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid Openeye Name: 3-[(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid CAS Name: 3-[(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)methyl]-2-furancarboxylic acid IUPAC Name: 3-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid Traditional Name: 3-[(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)methyl]-2-furoic acid Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=C(OC=C3)C(=O)O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=C(OC=C3)C(=O)O)C

InChI

InChI=1S/C14H12N2O4S/c1-7-8(2)21-12-10(7)13(17)16(6-15-12)5-9-3-4-20-11(9)14(18)19/h3-4,6H,5H2,1-2H3,(H,18,19)