5-methyl-4-oxidanylidene-2-[(1-phenylpyrazol-4-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-4-oxidanylidene-2-[(1-phenylpyrazol-4-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-4-oxo-2-[(1-phenylpyrazol-4-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-oxo-2-[(1-phenyl-4-pyrazolyl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 5-methyl-4-oxo-2-[(1-phenylpyrazol-4-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-5-methyl-2-[(1-phenylpyrazol-4-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C18H14N4O3S MolecularWeight: 366.39376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CN(N=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CN(N=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C18H14N4O3S/c1-10-14-16(23)20-13(21-17(14)26-15(10)18(24)25)7-11-8-19-22(9-11)12-5-3-2-4-6-12/h2-6,8-9H,7H2,1H3,(H,24,25)(H,20,21,23)