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

Systemtic Name: 3-[(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid Openeye Name: 3-[(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid CAS Name: 3-[(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)methyl]benzoic acid IUPAC Name: 3-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid Traditional Name: 3-[(4-keto-6-methyl-5-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=C(C2=C(S1)N=CN(C2=O)CC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4

InChI

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