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

Systemtic Name: phenethyl 3-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C28H30N2O4S MolecularWeight: 490.6138

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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)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCOC3=CC=C(C=C3)C(C)(C)C)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O4S/c1-19-23-25(35-24(19)27(32)34-16-14-20-8-6-5-7-9-20)29-18-30(26(23)31)15-17-33-22-12-10-21(11-13-22)28(2,3)4/h5-13,18H,14-17H2,1-4H3