2-[[3-methyl-7-[(2R)-3-(3-methylphenoxy)-2-oxidanyl-propyl]-2-oxidanidyl-6-oxidanylidene-purin-8-yl]amino]ethanoate

Systemtic Name: 2-[[3-methyl-7-[(2R)-3-(3-methylphenoxy)-2-oxidanyl-propyl]-2-oxidanidyl-6-oxidanylidene-purin-8-yl]amino]ethanoate Openeye Name: 2-[[7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-2-oxido-6-oxo-purin-8-yl]amino]acetate CAS Name: 2-[[7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-2-oxido-6-oxo-8-purinyl]amino]acetate IUPAC Name: 2-[[7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-2-oxido-6-oxopurin-8-yl]amino]acetate Traditional Name: 2-[[7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-keto-3-methyl-2-oxido-purin-8-yl]amino]acetate Formula: C18H19N5O6-2 MolecularWeight: 401.37336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NCC(=O)[O-])N(C(=NC3=O)[O-])C)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@@H](CN2C3=C(N=C2NCC(=O)[O-])N(C(=NC3=O)[O-])C)O

InChI

InChI=1S/C18H21N5O6/c1-10-4-3-5-12(6-10)29-9-11(24)8-23-14-15(20-17(23)19-7-13(25)26)22(2)18(28)21-16(14)27/h3-6,11,24H,7-9H2,1-2H3,(H,19,20)(H,25,26)(H,21,27,28)/p-2/t11-/m1/s1