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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NCCC(=O)[O-])N(C(=NC3=O)[O-])C)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@@H](CN2C3=C(N=C2NCCC(=O)[O-])N(C(=NC3=O)[O-])C)O

InChI

InChI=1S/C19H23N5O6/c1-11-4-3-5-13(8-11)30-10-12(25)9-24-15-16(23(2)19(29)22-17(15)28)21-18(24)20-7-6-14(26)27/h3-5,8,12,25H,6-7,9-10H2,1-2H3,(H,20,21)(H,26,27)(H,22,28,29)/p-2/t12-/m1/s1