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

Systemtic Name: 2-[[7-[(2R)-3-(3-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-2-oxidanidyl-6-oxidanylidene-purin-8-yl]amino]ethanoate Openeye Name: 2-[[7-[(2R)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-2-oxido-6-oxo-purin-8-yl]amino]acetate CAS Name: 2-[[7-[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2-oxido-6-oxo-8-purinyl]amino]acetate IUPAC Name: 2-[[7-[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2-oxido-6-oxopurin-8-yl]amino]acetate Traditional Name: 2-[[7-[(2R)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-6-keto-3-methyl-2-oxido-purin-8-yl]amino]acetate Formula: C19H21N5O6-2 MolecularWeight: 415.39994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NCC(=O)[O-])N(C(=NC3=O)[O-])C)O

Isomeric SMILES

CCC1=CC(=CC=C1)OC[C@@H](CN2C3=C(N=C2NCC(=O)[O-])N(C(=NC3=O)[O-])C)O

InChI

InChI=1S/C19H23N5O6/c1-3-11-5-4-6-13(7-11)30-10-12(25)9-24-15-16(21-18(24)20-8-14(26)27)23(2)19(29)22-17(15)28/h4-7,12,25H,3,8-10H2,1-2H3,(H,20,21)(H,26,27)(H,22,28,29)/p-2/t12-/m1/s1