5-[3-[2,4-bis(azanyl)pteridin-6-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[2,4-bis(azanyl)pteridin-6-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]thiophene-2-carboxylic acid Openeye Name: 5-[1-[(2,4-diaminopteridin-6-yl)methyl]-2-hydroxy-2-oxo-ethyl]thiophene-2-carboxylic acid CAS Name: 5-[3-(2,4-diamino-6-pteridinyl)-1-hydroxy-1-oxopropan-2-yl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-(2,4-diaminopteridin-6-yl)-1-hydroxy-1-oxopropan-2-yl]thiophene-2-carboxylic acid Traditional Name: 5-[1-[(2,4-diaminopteridin-6-yl)methyl]-2-hydroxy-2-keto-ethyl]-2-thenoic acid Formula: C14H12N6O4S MolecularWeight: 360.34788

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)C(=O)O)C(CC2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)O

Isomeric SMILES

C1=C(SC(=C1)C(=O)O)C(CC2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)O

InChI

InChI=1S/C14H12N6O4S/c15-10-9-11(20-14(16)19-10)17-4-5(18-9)3-6(12(21)22)7-1-2-8(25-7)13(23)24/h1-2,4,6H,3H2,(H,21,22)(H,23,24)(H4,15,16,17,19,20)