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

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(propanoyloxymethyl)butyl] (2S)-2-azanyl-3-methyl-pentanoate hydrochloride Openeye Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(propanoyloxymethyl)butyl] (2S)-2-amino-3-methyl-pentanoate hydrochloride CAS Name: (2S)-2-amino-3-methylpentanoic 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-methylpentanoate hydrochloride Traditional Name: (2S)-2-amino-3-methyl-valeric acid [4-(2-amino-6-keto-3H-purin-9-yl)-2-(propionyloxymethyl)butyl] ester hydrochloride Formula: C19H31ClN6O5 MolecularWeight: 458.93964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N6O5.ClH/c1-4-11(3)14(20)18(28)30-9-12(8-29-13(26)5-2)6-7-25-10-22-15-16(25)23-19(21)24-17(15)27;/h10-12,14H,4-9,20H2,1-3H3,(H3,21,23,24,27);1H/t11?,12?,14-;/m0./s1