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

Systemtic Name: propyl 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-methyl-3-oxidanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: propyl 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-2-(benzyloxycarbonylamino)-3-hydroxy-3-methyl-butanoate CAS Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxy-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid propyl ester IUPAC Name: propyl 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxy-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-2-(benzyloxycarbonylamino)-3-hydroxy-3-methyl-butyric acid propyl ester Formula: C22H28N6O7 MolecularWeight: 488.49372

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C(C)(C)O)(NC(=O)OCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CCCOC(=O)C(C(C)(C)O)(NC(=O)OCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C22H28N6O7/c1-4-10-33-18(30)22(21(2,3)32,27-20(31)34-11-14-8-6-5-7-9-14)35-13-28-12-24-15-16(28)25-19(23)26-17(15)29/h5-9,12,32H,4,10-11,13H2,1-3H3,(H,27,31)(H3,23,25,26,29)