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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-chlorobenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C25H29ClN2O3S MolecularWeight: 473.02736

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC=CC=C4Cl)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC=CC=C4Cl)C)C(C)C

InChI

InChI=1S/C25H29ClN2O3S/c1-14(2)18-10-9-15(3)11-20(18)31-25(30)22-16(4)21-23(32-22)27-13-28(24(21)29)12-17-7-5-6-8-19(17)26/h5-8,13-15,18,20H,9-12H2,1-4H3