cyclohexyl 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-(1-phenylethylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: cyclohexyl 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-(1-phenylethylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 5-methyl-4-oxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-methyl-4-oxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(1-phenylethylamino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4S/c1-15-20-22(32-21(15)24(30)31-18-11-7-4-8-12-18)25-14-27(23(20)29)13-19(28)26-16(2)17-9-5-3-6-10-17/h3,5-6,9-10,14,16,18H,4,7-8,11-13H2,1-2H3,(H,26,28)