(4-hexoxyphenyl)methyl 3,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: (4-hexoxyphenyl)methyl 3,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: (4-hexoxyphenyl)methyl 3,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (4-hexoxyphenyl)methyl ester IUPAC Name: (4-hexoxyphenyl)methyl 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid (4-hexoxybenzyl) ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)COC(=O)C2=C(C3=C(S2)N=CN(C3=O)C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)COC(=O)C2=C(C3=C(S2)N=CN(C3=O)C)C

InChI

InChI=1S/C22H26N2O4S/c1-4-5-6-7-12-27-17-10-8-16(9-11-17)13-28-22(26)19-15(2)18-20(29-19)23-14-24(3)21(18)25/h8-11,14H,4-7,12-13H2,1-3H3