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

Systemtic Name: 3-[[7-[(2R)-3-(3-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-2-oxidanidyl-6-oxidanylidene-purin-8-yl]amino]propanoate Openeye Name: 3-[[7-[(2R)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-2-oxido-6-oxo-purin-8-yl]amino]propanoate CAS Name: 3-[[7-[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2-oxido-6-oxo-8-purinyl]amino]propanoate IUPAC Name: 3-[[7-[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2-oxido-6-oxopurin-8-yl]amino]propanoate Traditional Name: 3-[[7-[(2R)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-6-keto-3-methyl-2-oxido-purin-8-yl]amino]propionate Formula: C20H23N5O6-2 MolecularWeight: 429.42652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NCCC(=O)[O-])N(C(=NC3=O)[O-])C)O

Isomeric SMILES

CCC1=CC(=CC=C1)OC[C@@H](CN2C3=C(N=C2NCCC(=O)[O-])N(C(=NC3=O)[O-])C)O

InChI

InChI=1S/C20H25N5O6/c1-3-12-5-4-6-14(9-12)31-11-13(26)10-25-16-17(24(2)20(30)23-18(16)29)22-19(25)21-8-7-15(27)28/h4-6,9,13,26H,3,7-8,10-11H2,1-2H3,(H,21,22)(H,27,28)(H,23,29,30)/p-2/t13-/m1/s1