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

Systemtic Name: [2-[(2-azanylpurin-9-yl)methyl]-4-oxidanyl-butyl] 2-azanyl-3-methyl-pentanoate Openeye Name: [2-[(2-aminopurin-9-yl)methyl]-4-hydroxy-butyl] 2-amino-3-methyl-pentanoate CAS Name: 2-amino-3-methylpentanoic acid [2-[(2-amino-9-purinyl)methyl]-4-hydroxybutyl] ester IUPAC Name: [2-[(2-aminopurin-9-yl)methyl]-4-hydroxybutyl] 2-amino-3-methylpentanoate Traditional Name: 2-amino-3-methyl-valeric acid [2-[(2-aminopurin-9-yl)methyl]-4-hydroxy-butyl] ester Formula: C16H26N6O3 MolecularWeight: 350.41604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC(CCO)CN1C=NC2=CN=C(N=C21)N)N

Isomeric SMILES

CCC(C)C(C(=O)OCC(CCO)CN1C=NC2=CN=C(N=C21)N)N

InChI

InChI=1S/C16H26N6O3/c1-3-10(2)13(17)15(24)25-8-11(4-5-23)7-22-9-20-12-6-19-16(18)21-14(12)22/h6,9-11,13,23H,3-5,7-8,17H2,1-2H3,(H2,18,19,21)