(4-tert-butylcyclohexyl) 2-[5-(4-ethoxyphenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name: (4-tert-butylcyclohexyl) 2-[5-(4-ethoxyphenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: (4-tert-butylcyclohexyl) 2-[5-(4-ethoxyphenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(4-ethoxyphenyl)-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid (4-tert-butylcyclohexyl) ester IUPAC Name: (4-tert-butylcyclohexyl) 2-[5-(4-ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-(4-keto-6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-3-yl)acetic acid (4-tert-butylcyclohexyl) ester Formula: C27H34N2O4S MolecularWeight: 482.63486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)OC4CCC(CC4)C(C)(C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)OC4CCC(CC4)C(C)(C)C)C

InChI

InChI=1S/C27H34N2O4S/c1-6-32-20-11-7-18(8-12-20)23-17(2)34-25-24(23)26(31)29(16-28-25)15-22(30)33-21-13-9-19(10-14-21)27(3,4)5/h7-8,11-12,16,19,21H,6,9-10,13-15H2,1-5H3