[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 3,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 3,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 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 [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 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 [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=C(C2=C(S1)N=CN(C2=O)C)C

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1=C(C2=C(S1)N=CN(C2=O)C)C

InChI

InChI=1S/C16H21N3O4S/c1-5-6-9(2)18-11(20)7-23-16(22)13-10(3)12-14(24-13)17-8-19(4)15(12)21/h8-9H,5-7H2,1-4H3,(H,18,20)