[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-(2-azanylpropanoyloxy)propyl] 2-azanylpropanoate

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-(2-azanylpropanoyloxy)propyl] 2-azanylpropanoate Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-(2-aminopropanoyloxy)propyl] 2-aminopropanoate CAS Name: 2-aminopropanoic acid [3-(2-amino-1-oxopropoxy)-2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]propyl] ester IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-(2-aminopropanoyloxy)propyl] 2-aminopropanoate Traditional Name: 2-aminopropionic acid [3-alanyloxy-2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]propyl] ester Formula: C15H23N7O6 MolecularWeight: 397.38642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(COC(=O)C(C)N)OCN1C=NC2=C1NC(=NC2=O)N)N

Isomeric SMILES

CC(C(=O)OCC(COC(=O)C(C)N)OCN1C=NC2=C1NC(=NC2=O)N)N

InChI

InChI=1S/C15H23N7O6/c1-7(16)13(24)26-3-9(4-27-14(25)8(2)17)28-6-22-5-19-10-11(22)20-15(18)21-12(10)23/h5,7-9H,3-4,6,16-17H2,1-2H3,(H3,18,20,21,23)