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

Systemtic Name: 6-[3-[2,4-bis(azanyl)pteridin-6-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]pyridine-3-carboxylic acid Openeye Name: 6-[1-[(2,4-diaminopteridin-6-yl)methyl]-2-hydroxy-2-oxo-ethyl]pyridine-3-carboxylic acid CAS Name: 6-[3-(2,4-diamino-6-pteridinyl)-1-hydroxy-1-oxopropan-2-yl]-3-pyridinecarboxylic acid IUPAC Name: 6-[3-(2,4-diaminopteridin-6-yl)-1-hydroxy-1-oxopropan-2-yl]pyridine-3-carboxylic acid Traditional Name: 6-[1-[(2,4-diaminopteridin-6-yl)methyl]-2-hydroxy-2-keto-ethyl]nicotinic acid Formula: C15H13N7O4 MolecularWeight: 355.30822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1C(=O)O)C(CC2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)O

Isomeric SMILES

C1=CC(=NC=C1C(=O)O)C(CC2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)O

InChI

InChI=1S/C15H13N7O4/c16-11-10-12(22-15(17)21-11)19-5-7(20-10)3-8(14(25)26)9-2-1-6(4-18-9)13(23)24/h1-2,4-5,8H,3H2,(H,23,24)(H,25,26)(H4,16,17,19,21,22)