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

Systemtic Name: 3-[(2-methyl-4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid Openeye Name: 3-[(2-methyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid CAS Name: 3-[(2-methyl-4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)methyl]benzoic acid IUPAC Name: 3-[(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid Traditional Name: 3-[(4-keto-2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1CC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1CC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H16N2O3S/c1-13-22-19-17(11-18(27-19)15-7-3-2-4-8-15)20(24)23(13)12-14-6-5-9-16(10-14)21(25)26/h2-11H,12H2,1H3,(H,25,26)