[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(2-methylpropanoyloxymethyl)butyl] (2S)-2-azanyl-3-methyl-pentanoate chloride

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(2-methylpropanoyloxymethyl)butyl] (2S)-2-azanyl-3-methyl-pentanoate chloride Openeye Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(2-methylpropanoyloxymethyl)butyl] (2S)-2-amino-3-methyl-pentanoate chloride CAS Name: (2S)-2-amino-3-methylpentanoic acid [4-(2-amino-6-oxo-3H-purin-9-yl)-2-[(2-methyl-1-oxopropoxy)methyl]butyl] ester chloride IUPAC Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(2-methylpropanoyloxymethyl)butyl] (2S)-2-amino-3-methylpentanoate chloride Traditional Name: (2S)-2-amino-3-methyl-valeric acid [4-(2-amino-6-keto-3H-purin-9-yl)-2-(isobutyryloxymethyl)butyl] ester chloride Formula: C20H32ClN6O5- MolecularWeight: 471.95828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)COC(=O)C(C)C)N.[Cl-]

Isomeric SMILES

CCC(C)[C@@H](C(=O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)COC(=O)C(C)C)N.[Cl-]

InChI

InChI=1S/C20H32N6O5.ClH/c1-5-12(4)14(21)19(29)31-9-13(8-30-18(28)11(2)3)6-7-26-10-23-15-16(26)24-20(22)25-17(15)27;/h10-14H,5-9,21H2,1-4H3,(H3,22,24,25,27);1H/p-1/t12?,13?,14-;/m0./s1