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

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(butanoyloxymethyl)butyl] (2S)-2-azanyl-3-methyl-butanoate Openeye Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(butanoyloxymethyl)butyl] (2S)-2-amino-3-methyl-butanoate CAS Name: (2S)-2-amino-3-methylbutanoic acid [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(1-oxobutoxymethyl)butyl] ester IUPAC Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(butanoyloxymethyl)butyl] (2S)-2-amino-3-methylbutanoate Traditional Name: (2S)-2-amino-3-methyl-butyric acid [4-(2-amino-6-keto-3H-purin-9-yl)-2-(butyryloxymethyl)butyl] ester Formula: C19H30N6O5 MolecularWeight: 422.4787

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)COC(=O)C(C(C)C)N

Isomeric SMILES

CCCC(=O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)COC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C19H30N6O5/c1-4-5-13(26)29-8-12(9-30-18(28)14(20)11(2)3)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)/t12?,14-/m0/s1