[3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methoxy]-2-(2-azanylpropanoyloxy)propyl] 2-azanylpropanoate

Systemtic Name: [3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methoxy]-2-(2-azanylpropanoyloxy)propyl] 2-azanylpropanoate Openeye Name: [3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methoxy]-2-(2-aminopropanoyloxy)propyl] 2-aminopropanoate CAS Name: 2-aminopropanoic acid [3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methoxy]-2-(2-amino-1-oxopropoxy)propyl] ester IUPAC Name: [3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methoxy]-2-(2-aminopropanoyloxy)propyl] 2-aminopropanoate Traditional Name: 2-aminopropionic acid [2-alanyloxy-3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)methoxy]propyl] ester Formula: C15H25N7O6 MolecularWeight: 399.4023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(COCN1CNC2=C1NC(=NC2=O)N)OC(=O)C(C)N)N

Isomeric SMILES

CC(C(=O)OCC(COCN1CNC2=C1NC(=NC2=O)N)OC(=O)C(C)N)N

InChI

InChI=1S/C15H25N7O6/c1-7(16)13(24)27-4-9(28-14(25)8(2)17)3-26-6-22-5-19-10-11(22)20-15(18)21-12(10)23/h7-9,19H,3-6,16-17H2,1-2H3,(H3,18,20,21,23)