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

Systemtic Name: (4-tert-butylcyclohexyl) 2-[5-(4-methoxyphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: (4-tert-butylcyclohexyl) 2-[5-(4-methoxyphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(4-methoxyphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid (4-tert-butylcyclohexyl) ester IUPAC Name: (4-tert-butylcyclohexyl) 2-[5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[4-keto-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]acetic acid (4-tert-butylcyclohexyl) ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)OC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)C1CCC(CC1)OC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H30N2O4S/c1-25(2,3)17-7-11-19(12-8-17)31-21(28)13-27-15-26-23-22(24(27)29)20(14-32-23)16-5-9-18(30-4)10-6-16/h5-6,9-10,14-15,17,19H,7-8,11-13H2,1-4H3