5-[2-[2,4-bis(azanyl)pteridin-6-yl]ethyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[2-[2,4-bis(azanyl)pteridin-6-yl]ethyl]thiophene-2-carboxylic acid Openeye Name: 5-[2-(2,4-diaminopteridin-6-yl)ethyl]thiophene-2-carboxylic acid CAS Name: 5-[2-(2,4-diamino-6-pteridinyl)ethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[2-(2,4-diaminopteridin-6-yl)ethyl]thiophene-2-carboxylic acid Traditional Name: 5-[2-(2,4-diaminopteridin-6-yl)ethyl]-2-thenoic acid Formula: C13H12N6O2S MolecularWeight: 316.33838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)C(=O)O)CCC2=CN=C3C(=N2)C(=NC(=N3)N)N

Isomeric SMILES

C1=C(SC(=C1)C(=O)O)CCC2=CN=C3C(=N2)C(=NC(=N3)N)N

InChI

InChI=1S/C13H12N6O2S/c14-10-9-11(19-13(15)18-10)16-5-6(17-9)1-2-7-3-4-8(22-7)12(20)21/h3-5H,1-2H2,(H,20,21)(H4,14,15,16,18,19)