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

Systemtic Name: [6-azanyl-9-(phenylmethyl)purin-8-yl] octadecanoate Openeye Name: (6-amino-9-benzyl-purin-8-yl) octadecanoate CAS Name: octadecanoic acid [6-amino-9-(phenylmethyl)-8-purinyl] ester IUPAC Name: (6-amino-9-benzylpurin-8-yl) octadecanoate Traditional Name: stearic acid (6-amino-9-benzyl-purin-8-yl) ester Formula: C30H45N5O2 MolecularWeight: 507.7106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H45N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(36)37-30-34-27-28(31)32-24-33-29(27)35(30)23-25-20-17-16-18-21-25/h16-18,20-21,24H,2-15,19,22-23H2,1H3,(H2,31,32,33)