[3-[(2-azanyl-3-methyl-butanoyl)oxymethyl]-4-(2-azanylpurin-9-yl)butyl] hexanoate

Systemtic Name: [3-[(2-azanyl-3-methyl-butanoyl)oxymethyl]-4-(2-azanylpurin-9-yl)butyl] hexanoate Openeye Name: [3-[(2-amino-3-methyl-butanoyl)oxymethyl]-4-(2-aminopurin-9-yl)butyl] hexanoate CAS Name: hexanoic acid [3-[(2-amino-3-methyl-1-oxobutoxy)methyl]-4-(2-amino-9-purinyl)butyl] ester IUPAC Name: [3-[(2-amino-3-methylbutanoyl)oxymethyl]-4-(2-aminopurin-9-yl)butyl] hexanoate Traditional Name: hexanoic acid [3-[(2-amino-3-methyl-butanoyl)oxymethyl]-4-(2-aminopurin-9-yl)butyl] ester Formula: C21H34N6O4 MolecularWeight: 434.53246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCCC(CN1C=NC2=CN=C(N=C21)N)COC(=O)C(C(C)C)N

Isomeric SMILES

CCCCCC(=O)OCCC(CN1C=NC2=CN=C(N=C21)N)COC(=O)C(C(C)C)N

InChI

InChI=1S/C21H34N6O4/c1-4-5-6-7-17(28)30-9-8-15(12-31-20(29)18(22)14(2)3)11-27-13-25-16-10-24-21(23)26-19(16)27/h10,13-15,18H,4-9,11-12,22H2,1-3H3,(H2,23,24,26)