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

Systemtic Name: butyl 5-methyl-6-(2-methylpropyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-2-carboxylate Openeye Name: butyl 6-isobutyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate CAS Name: 5-methyl-6-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylic acid butyl ester IUPAC Name: butyl 5-methyl-6-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate Traditional Name: 6-isobutyl-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-2-carboxylic acid butyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=NC2=C(C(=C(S2)CC(C)C)C)C(=O)N1

Isomeric SMILES

CCCCOC(=O)C1=NC2=C(C(=C(S2)CC(C)C)C)C(=O)N1

InChI

InChI=1S/C16H22N2O3S/c1-5-6-7-21-16(20)13-17-14(19)12-10(4)11(8-9(2)3)22-15(12)18-13/h9H,5-8H2,1-4H3,(H,17,18,19)