2-[1-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl]-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: 2-[1-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl]-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: 2-[1-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl]-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 2-[1-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl]-3-methyl-2-(phenylmethoxycarbonylamino)butanoate IUPAC Name: 2-[1-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl]-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-[1-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl]-2-(benzyloxycarbonylamino)-3-methyl-butyrate Formula: C21H25N6O6- MolecularWeight: 457.4598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)OCN1C=NC2=C1NC(=NC2=O)N)(C(=O)[O-])NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(C)OCN1C=NC2=C1NC(=NC2=O)N)(C(=O)[O-])NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H26N6O6/c1-12(2)21(18(29)30,26-20(31)32-9-14-7-5-4-6-8-14)13(3)33-11-27-10-23-15-16(27)24-19(22)25-17(15)28/h4-8,10,12-13H,9,11H2,1-3H3,(H,26,31)(H,29,30)(H3,22,24,25,28)/p-1