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

Systemtic Name: cyclohexyl 5-methyl-4-oxidanylidene-3-[(3-phenoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 5-methyl-4-oxo-3-[(3-phenoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[(3-phenoxyphenyl)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-methyl-4-oxo-3-[(3-phenoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(3-phenoxybenzyl)thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)OC5CCCCC5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)OC5CCCCC5

InChI

InChI=1S/C27H26N2O4S/c1-18-23-25(34-24(18)27(31)33-21-12-6-3-7-13-21)28-17-29(26(23)30)16-19-9-8-14-22(15-19)32-20-10-4-2-5-11-20/h2,4-5,8-11,14-15,17,21H,3,6-7,12-13,16H2,1H3