(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

InChI

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