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

Systemtic Name: [3-[(2-azanylpurin-9-yl)methyl]-4-butanoyloxy-butyl] 2-azanyl-3-methyl-pentanoate Openeye Name: [3-[(2-aminopurin-9-yl)methyl]-4-butanoyloxy-butyl] 2-amino-3-methyl-pentanoate CAS Name: 2-amino-3-methylpentanoic 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-methylpentanoate Traditional Name: 2-amino-3-methyl-valeric acid [3-[(2-aminopurin-9-yl)methyl]-4-butyryloxy-butyl] ester Formula: C20H32N6O4 MolecularWeight: 420.50588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N6O4/c1-4-6-16(27)30-11-14(7-8-29-19(28)17(21)13(3)5-2)10-26-12-24-15-9-23-20(22)25-18(15)26/h9,12-14,17H,4-8,10-11,21H2,1-3H3,(H2,22,23,25)