[3-[(2-azanyl-3-methyl-butanoyl)oxymethyl]-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)butyl] 5-oxidanylidenehexanoate

Systemtic Name: [3-[(2-azanyl-3-methyl-butanoyl)oxymethyl]-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)butyl] 5-oxidanylidenehexanoate Openeye Name: [3-[(2-amino-3-methyl-butanoyl)oxymethyl]-4-(2-amino-6-oxo-3H-purin-9-yl)butyl] 5-oxohexanoate CAS Name: 5-oxohexanoic acid [3-[(2-amino-3-methyl-1-oxobutoxy)methyl]-4-(2-amino-6-oxo-3H-purin-9-yl)butyl] ester IUPAC Name: [3-[(2-amino-3-methylbutanoyl)oxymethyl]-4-(2-amino-6-oxo-3H-purin-9-yl)butyl] 5-oxohexanoate Traditional Name: 5-ketohexanoic acid [3-[(2-amino-6-keto-3H-purin-9-yl)methyl]-4-(2-amino-3-methyl-butanoyl)oxy-butyl] ester Formula: C21H32N6O6 MolecularWeight: 464.51538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N6O6/c1-12(2)16(22)20(31)33-10-14(7-8-32-15(29)6-4-5-13(3)28)9-27-11-24-17-18(27)25-21(23)26-19(17)30/h11-12,14,16H,4-10,22H2,1-3H3,(H3,23,25,26,30)