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

Systemtic Name: cyclohexyl 3-[(3-bromophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 3-[(3-bromophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(3-bromophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 3-[(3-bromophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(3-bromobenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=CC=C3)Br)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=CC=C3)Br)C(=O)OC4CCCCC4

InChI

InChI=1S/C21H21BrN2O3S/c1-13-17-19(28-18(13)21(26)27-16-8-3-2-4-9-16)23-12-24(20(17)25)11-14-6-5-7-15(22)10-14/h5-7,10,12,16H,2-4,8-9,11H2,1H3