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

Systemtic Name: 5-methyl-4-oxidanylidene-3-(4-phenoxybutyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-4-oxo-3-(4-phenoxybutyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-(4-phenoxybutyl)-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-4-oxo-3-(4-phenoxybutyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(4-phenoxybutyl)thieno[2,3-d]pyrimidine-6-carboxylate Formula: C18H17N2O4S- MolecularWeight: 357.40358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCCCOC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCCCOC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C18H18N2O4S/c1-12-14-16(25-15(12)18(22)23)19-11-20(17(14)21)9-5-6-10-24-13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,22,23)/p-1