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

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

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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)OC

Isomeric SMILES

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

InChI

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