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

Systemtic Name: 3-[2-(butylamino)-2-oxidanylidene-ethyl]-2,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 3-[2-(butylamino)-2-oxo-ethyl]-2,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(butylamino)-2-oxoethyl]-2,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 3-[2-(butylamino)-2-oxoethyl]-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(butylamino)-2-keto-ethyl]-4-keto-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C15H18N3O4S- MolecularWeight: 336.38612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1C(=NC2=C(C1=O)C(=C(S2)C(=O)[O-])C)C

Isomeric SMILES

CCCCNC(=O)CN1C(=NC2=C(C1=O)C(=C(S2)C(=O)[O-])C)C

InChI

InChI=1S/C15H19N3O4S/c1-4-5-6-16-10(19)7-18-9(3)17-13-11(14(18)20)8(2)12(23-13)15(21)22/h4-7H2,1-3H3,(H,16,19)(H,21,22)/p-1