2-[(2-azanyl-6-oxidanylidene-4,5-dihydro-1H-purin-9-yl)methoxy]ethyl 3-azanylpropanoate

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-4,5-dihydro-1H-purin-9-yl)methoxy]ethyl 3-azanylpropanoate Openeye Name: 2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]ethyl 3-aminopropanoate CAS Name: 3-aminopropanoic acid 2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]ethyl ester IUPAC Name: 2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]ethyl 3-aminopropanoate Traditional Name: 3-aminopropionic acid 2-[(2-amino-6-keto-4,5-dihydro-1H-purin-9-yl)methoxy]ethyl ester Formula: C11H18N6O4 MolecularWeight: 298.29842

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2C(N1COCCOC(=O)CCN)N=C(NC2=O)N

Isomeric SMILES

C1=NC2C(N1COCCOC(=O)CCN)N=C(NC2=O)N

InChI

InChI=1S/C11H18N6O4/c12-2-1-7(18)21-4-3-20-6-17-5-14-8-9(17)15-11(13)16-10(8)19/h5,8-9H,1-4,6,12H2,(H3,13,15,16,19)