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

Systemtic Name: (4-pentoxyphenyl) 3-ethyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: (4-pentoxyphenyl) 3-ethyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-ethyl-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (4-pentoxyphenyl) ester IUPAC Name: (4-pentoxyphenyl) 3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-ethyl-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid (4-amoxyphenyl) ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC)C

InChI

InChI=1S/C21H24N2O4S/c1-4-6-7-12-26-15-8-10-16(11-9-15)27-21(25)18-14(3)17-19(28-18)22-13-23(5-2)20(17)24/h8-11,13H,4-7,12H2,1-3H3