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

Systemtic Name: methyl 3-[(2-cyanophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 3-[(2-cyanophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(2-cyanophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-cyanophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-cyanobenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3C#N)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3C#N)C(=O)OC

InChI

InChI=1S/C17H13N3O3S/c1-10-13-15(24-14(10)17(22)23-2)19-9-20(16(13)21)8-12-6-4-3-5-11(12)7-18/h3-6,9H,8H2,1-2H3