3-(cyanomethyl)-5-methyl-4-oxidanylidene-2-propan-2-yl-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 3-(cyanomethyl)-5-methyl-4-oxidanylidene-2-propan-2-yl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-(cyanomethyl)-2-isopropyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 3-(cyanomethyl)-5-methyl-4-oxo-2-propan-2-yl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3-(cyanomethyl)-5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-(cyanomethyl)-2-isopropyl-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)C(C)C)CC#N)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)C(C)C)CC#N)C(=O)O

InChI

InChI=1S/C13H13N3O3S/c1-6(2)10-15-11-8(12(17)16(10)5-4-14)7(3)9(20-11)13(18)19/h6H,5H2,1-3H3,(H,18,19)