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

Systemtic Name: (3-methylphenyl)methyl 2,5-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: m-tolylmethyl 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 (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)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 (3-methylbenzyl) ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C2=C(C3=C(S2)N=C(NC3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)C2=C(C3=C(S2)N=C(NC3=O)C)C

InChI

InChI=1S/C17H16N2O3S/c1-9-5-4-6-12(7-9)8-22-17(21)14-10(2)13-15(20)18-11(3)19-16(13)23-14/h4-7H,8H2,1-3H3,(H,18,19,20)