[3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-butanoyloxy-butyl] 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: [3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-butanoyloxy-butyl] 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-butanoyloxy-butyl] 2-(tert-butoxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-(1-oxobutoxy)butyl] ester IUPAC Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-butanoyloxybutyl] 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-methyl-butyric acid [3-[(2-amino-6-keto-3H-purin-9-yl)methyl]-4-butyryloxy-butyl] ester Formula: C24H38N6O7 MolecularWeight: 522.59452

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(CCOC(=O)C(C(C)C)NC(=O)OC(C)(C)C)CN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCC(=O)OCC(CCOC(=O)C(C(C)C)NC(=O)OC(C)(C)C)CN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C24H38N6O7/c1-7-8-16(31)36-12-15(11-30-13-26-18-19(30)28-22(25)29-20(18)32)9-10-35-21(33)17(14(2)3)27-23(34)37-24(4,5)6/h13-15,17H,7-12H2,1-6H3,(H,27,34)(H3,25,28,29,32)