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

Systemtic Name: 2-[2-(1,3-diphenylpyrazol-4-yl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[2-(1,3-diphenylpyrazol-4-yl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[2-(1,3-diphenyl-4-pyrazolyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-[2-(1,3-diphenylpyrazol-4-yl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[2-(1,3-diphenylpyrazol-4-yl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C25H18N4O3S MolecularWeight: 454.50042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C25H18N4O3S/c1-15-20-23(30)26-19(27-24(20)33-22(15)25(31)32)13-12-17-14-29(18-10-6-3-7-11-18)28-21(17)16-8-4-2-5-9-16/h2-14H,1H3,(H,31,32)(H,26,27,30)