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

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 2-(benzyloxycarbonylamino)-3-methyl-pentanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl ester IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-valeric acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester Formula: C22H28N6O6 MolecularWeight: 472.49432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(C)C(C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H28N6O6/c1-3-14(2)16(25-22(31)34-11-15-7-5-4-6-8-15)20(30)33-10-9-32-13-28-12-24-17-18(28)26-21(23)27-19(17)29/h4-8,12,14,16H,3,9-11,13H2,1-2H3,(H,25,31)(H3,23,26,27,29)