2-[[3-methyl-2,6-bis(oxidanylidene)-7-(2-oxidanyl-3-phenoxy-propyl)purin-8-yl]amino]propanoic acid

Systemtic Name: 2-[[3-methyl-2,6-bis(oxidanylidene)-7-(2-oxidanyl-3-phenoxy-propyl)purin-8-yl]amino]propanoic acid Openeye Name: 2-[[7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-2,6-dioxo-purin-8-yl]amino]propanoic acid CAS Name: 2-[[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxo-8-purinyl]amino]propanoic acid IUPAC Name: 2-[[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]amino]propanoic acid Traditional Name: 2-[[7-(2-hydroxy-3-phenoxy-propyl)-2,6-diketo-3-methyl-purin-8-yl]amino]propionic acid Formula: C18H21N5O6 MolecularWeight: 403.38924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C(=O)O)NC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H21N5O6/c1-10(16(26)27)19-17-20-14-13(15(25)21-18(28)22(14)2)23(17)8-11(24)9-29-12-6-4-3-5-7-12/h3-7,10-11,24H,8-9H2,1-2H3,(H,19,20)(H,26,27)(H,21,25,28)