3-[2,4-bis(azanyl)pteridin-6-yl]-5-ethyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[2,4-bis(azanyl)pteridin-6-yl]-5-ethyl-thiophene-2-carboxylic acid Openeye Name: 3-(2,4-diaminopteridin-6-yl)-5-ethyl-thiophene-2-carboxylic acid CAS Name: 3-(2,4-diamino-6-pteridinyl)-5-ethyl-2-thiophenecarboxylic acid IUPAC Name: 3-(2,4-diaminopteridin-6-yl)-5-ethylthiophene-2-carboxylic acid Traditional Name: 3-(2,4-diaminopteridin-6-yl)-5-ethyl-2-thenoic acid Formula: C13H12N6O2S MolecularWeight: 316.33838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)C(=O)O)C2=CN=C3C(=N2)C(=NC(=N3)N)N

Isomeric SMILES

CCC1=CC(=C(S1)C(=O)O)C2=CN=C3C(=N2)C(=NC(=N3)N)N

InChI

InChI=1S/C13H12N6O2S/c1-2-5-3-6(9(22-5)12(20)21)7-4-16-11-8(17-7)10(14)18-13(15)19-11/h3-4H,2H2,1H3,(H,20,21)(H4,14,15,16,18,19)