4-oxidanylidene-5-(pyrrolidin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 4-oxidanylidene-5-(pyrrolidin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-oxo-5-(pyrrolidin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-oxo-5-(1-pyrrolidinylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 4-oxo-5-(pyrrolidin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-5-(pyrrolidinomethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=C(SC3=C2C(=O)NC=N3)C(=O)O

Isomeric SMILES

C1CCN(C1)CC2=C(SC3=C2C(=O)NC=N3)C(=O)O

InChI

InChI=1S/C12H13N3O3S/c16-10-8-7(5-15-3-1-2-4-15)9(12(17)18)19-11(8)14-6-13-10/h6H,1-5H2,(H,17,18)(H,13,14,16)