[6-azanyl-9-(phenylmethyl)purin-8-yl] octanoate

Systemtic Name: [6-azanyl-9-(phenylmethyl)purin-8-yl] octanoate Openeye Name: (6-amino-9-benzyl-purin-8-yl) octanoate CAS Name: octanoic acid [6-amino-9-(phenylmethyl)-8-purinyl] ester IUPAC Name: (6-amino-9-benzylpurin-8-yl) octanoate Traditional Name: caprylic acid (6-amino-9-benzyl-purin-8-yl) ester Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=NC2=C(N1CC3=CC=CC=C3)N=CN=C2N

Isomeric SMILES

CCCCCCCC(=O)OC1=NC2=C(N1CC3=CC=CC=C3)N=CN=C2N

InChI

InChI=1S/C20H25N5O2/c1-2-3-4-5-9-12-16(26)27-20-24-17-18(21)22-14-23-19(17)25(20)13-15-10-7-6-8-11-15/h6-8,10-11,14H,2-5,9,12-13H2,1H3,(H2,21,22,23)