2-[[3-methyl-2,6-bis(oxidanylidene)-7-(2-phenoxyethyl)purin-8-yl]amino]ethanoic acid

Systemtic Name: 2-[[3-methyl-2,6-bis(oxidanylidene)-7-(2-phenoxyethyl)purin-8-yl]amino]ethanoic acid Openeye Name: 2-[[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-8-yl]amino]acetic acid CAS Name: 2-[[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)-8-purinyl]amino]acetic acid IUPAC Name: 2-[[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-8-yl]amino]acetic acid Traditional Name: 2-[[2,6-diketo-3-methyl-7-(2-phenoxyethyl)purin-8-yl]amino]acetic acid Formula: C16H17N5O5 MolecularWeight: 359.33668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC(=O)O)CCOC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC(=O)O)CCOC3=CC=CC=C3

InChI

InChI=1S/C16H17N5O5/c1-20-13-12(14(24)19-16(20)25)21(15(18-13)17-9-11(22)23)7-8-26-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,17,18)(H,22,23)(H,19,24,25)