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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)N=CN(C3=O)CCC)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)N=CN(C3=O)CCC)C

InChI

InChI=1S/C21H24N2O4S/c1-4-6-12-26-15-7-9-16(10-8-15)27-21(25)18-14(3)17-19(28-18)22-13-23(11-5-2)20(17)24/h7-10,13H,4-6,11-12H2,1-3H3