3-[(2,5,6-trimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid

Systemtic Name: 3-[(2,5,6-trimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid Openeye Name: 3-[(2,5,6-trimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid CAS Name: 3-[(2,5,6-trimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)methyl]benzoic acid IUPAC Name: 3-[(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid Traditional Name: 3-[(4-keto-2,5,6-trimethyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S/c1-9-10(2)23-15-14(9)16(20)19(11(3)18-15)8-12-5-4-6-13(7-12)17(21)22/h4-7H,8H2,1-3H3,(H,21,22)