[3-[(2-azanylpurin-9-yl)methyl]-4-butanoyloxy-butyl] 2-azanyl-3-methyl-butanoate

Systemtic Name: [3-[(2-azanylpurin-9-yl)methyl]-4-butanoyloxy-butyl] 2-azanyl-3-methyl-butanoate Openeye Name: [3-[(2-aminopurin-9-yl)methyl]-4-butanoyloxy-butyl] 2-amino-3-methyl-butanoate CAS Name: 2-amino-3-methylbutanoic acid [3-[(2-amino-9-purinyl)methyl]-4-(1-oxobutoxy)butyl] ester IUPAC Name: [3-[(2-aminopurin-9-yl)methyl]-4-butanoyloxybutyl] 2-amino-3-methylbutanoate Traditional Name: 2-amino-3-methyl-butyric acid [3-[(2-aminopurin-9-yl)methyl]-4-butyryloxy-butyl] ester Formula: C19H30N6O4 MolecularWeight: 406.4793

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(CCOC(=O)C(C(C)C)N)CN1C=NC2=CN=C(N=C21)N

Isomeric SMILES

CCCC(=O)OCC(CCOC(=O)C(C(C)C)N)CN1C=NC2=CN=C(N=C21)N

InChI

InChI=1S/C19H30N6O4/c1-4-5-15(26)29-10-13(6-7-28-18(27)16(20)12(2)3)9-25-11-23-14-8-22-19(21)24-17(14)25/h8,11-13,16H,4-7,9-10,20H2,1-3H3,(H2,21,22,24)