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

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 2,5-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: (1-phenylpyrazol-4-yl)methyl 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-2,5-dimethyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)OCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)OCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H16N4O3S/c1-11-15-17(24)21-12(2)22-18(15)27-16(11)19(25)26-10-13-8-20-23(9-13)14-6-4-3-5-7-14/h3-9H,10H2,1-2H3,(H,21,22,24)