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

Systemtic Name: 3-(cyanomethyl)-5-methyl-4-oxidanylidene-2-propyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 3-(cyanomethyl)-5-methyl-4-oxo-2-propyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(cyanomethyl)-5-methyl-4-oxo-2-propyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 3-(cyanomethyl)-5-methyl-4-oxo-2-propylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(cyanomethyl)-4-keto-5-methyl-2-propyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C13H12N3O3S- MolecularWeight: 290.31768

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=C(S2)C(=O)[O-])C)C(=O)N1CC#N

Isomeric SMILES

CCCC1=NC2=C(C(=C(S2)C(=O)[O-])C)C(=O)N1CC#N

InChI

InChI=1S/C13H13N3O3S/c1-3-4-8-15-11-9(12(17)16(8)6-5-14)7(2)10(20-11)13(18)19/h3-4,6H2,1-2H3,(H,18,19)/p-1