(phenylmethyl) 6-azanyl-2-butyl-purine-9-carboxylate

Systemtic Name: (phenylmethyl) 6-azanyl-2-butyl-purine-9-carboxylate Openeye Name: benzyl 6-amino-2-butyl-purine-9-carboxylate CAS Name: 6-amino-2-butyl-9-purinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-amino-2-butylpurine-9-carboxylate Traditional Name: 6-amino-2-butyl-purine-9-carboxylic acid benzyl ester Formula: C17H19N5O2 MolecularWeight: 325.36506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=N1)N)N=CN2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=NC2=C(C(=N1)N)N=CN2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H19N5O2/c1-2-3-9-13-20-15(18)14-16(21-13)22(11-19-14)17(23)24-10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H2,18,20,21)