3-[1,3,8-trimethyl-2,4,7-tris(oxidanylidene)pteridin-6-yl]propanoic acid

Systemtic Name: 3-[1,3,8-trimethyl-2,4,7-tris(oxidanylidene)pteridin-6-yl]propanoic acid Openeye Name: 3-(1,3,8-trimethyl-2,4,7-trioxo-pteridin-6-yl)propanoic acid CAS Name: 3-(1,3,8-trimethyl-2,4,7-trioxo-6-pteridinyl)propanoic acid IUPAC Name: 3-(1,3,8-trimethyl-2,4,7-trioxopteridin-6-yl)propanoic acid Traditional Name: 3-(2,4,7-triketo-1,3,8-trimethyl-pteridin-6-yl)propionic acid Formula: C12H14N4O5 MolecularWeight: 294.26336

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C(C1=O)CCC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C(C1=O)CCC(=O)O

InChI

InChI=1S/C12H14N4O5/c1-14-9-8(11(20)16(3)12(21)15(9)2)13-6(10(14)19)4-5-7(17)18/h4-5H2,1-3H3,(H,17,18)