3-[3-methyl-2,6-bis(oxidanylidene)-8-piperidin-1-yl-purin-7-yl]propanoic acid

Systemtic Name: 3-[3-methyl-2,6-bis(oxidanylidene)-8-piperidin-1-yl-purin-7-yl]propanoic acid Openeye Name: 3-[3-methyl-2,6-dioxo-8-(1-piperidyl)purin-7-yl]propanoic acid CAS Name: 3-[3-methyl-2,6-dioxo-8-(1-piperidinyl)-7-purinyl]propanoic acid IUPAC Name: 3-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)propanoic acid Traditional Name: 3-(2,6-diketo-3-methyl-8-piperidino-purin-7-yl)propionic acid Formula: C14H19N5O4 MolecularWeight: 321.33176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCC(=O)O

InChI

InChI=1S/C14H19N5O4/c1-17-11-10(12(22)16-14(17)23)19(8-5-9(20)21)13(15-11)18-6-3-2-4-7-18/h2-8H2,1H3,(H,20,21)(H,16,22,23)