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

Systemtic Name: propyl 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy-phenylmethoxycarbonyl-amino]-3-methyl-3-oxidanyl-butanoate Openeye Name: propyl 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy-benzyloxycarbonyl-amino]-3-hydroxy-3-methyl-butanoate CAS Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy-phenylmethoxycarbonylamino]-3-hydroxy-3-methylbutanoic acid propyl ester IUPAC Name: propyl 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy-phenylmethoxycarbonylamino]-3-hydroxy-3-methylbutanoate Traditional Name: 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy-carbobenzoxy-amino]-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)N(C(=O)OCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

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

InChI

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