[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(propanoyloxymethyl)butyl] (2S)-2-azanyl-3-methyl-butanoate hydrochloride

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(propanoyloxymethyl)butyl] (2S)-2-azanyl-3-methyl-butanoate hydrochloride Openeye Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(propanoyloxymethyl)butyl] (2S)-2-amino-3-methyl-butanoate hydrochloride CAS Name: (2S)-2-amino-3-methylbutanoic acid [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(1-oxopropoxymethyl)butyl] ester hydrochloride IUPAC Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(propanoyloxymethyl)butyl] (2S)-2-amino-3-methylbutanoate hydrochloride Traditional Name: (2S)-2-amino-3-methyl-butyric acid [4-(2-amino-6-keto-3H-purin-9-yl)-2-(propionyloxymethyl)butyl] ester hydrochloride Formula: C18H29ClN6O5 MolecularWeight: 444.91306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N6O5.ClH/c1-4-12(25)28-7-11(8-29-17(27)13(19)10(2)3)5-6-24-9-21-14-15(24)22-18(20)23-16(14)26;/h9-11,13H,4-8,19H2,1-3H3,(H3,20,22,23,26);1H/t11?,13-;/m0./s1