(phenylmethyl) 3-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: (phenylmethyl) 3-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 3-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(4-tert-butylphenoxy)ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCOC3=CC=C(C=C3)C(C)(C)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCOC3=CC=C(C=C3)C(C)(C)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O4S/c1-18-22-24(34-23(18)26(31)33-16-19-8-6-5-7-9-19)28-17-29(25(22)30)14-15-32-21-12-10-20(11-13-21)27(2,3)4/h5-13,17H,14-16H2,1-4H3