(phenylmethyl) 6-[furan-2-ylmethyl-(phenylmethyl)amino]purine-9-carboxylate

Systemtic Name: (phenylmethyl) 6-[furan-2-ylmethyl-(phenylmethyl)amino]purine-9-carboxylate Openeye Name: benzyl 6-[benzyl(2-furylmethyl)amino]purine-9-carboxylate CAS Name: 6-[2-furanylmethyl-(phenylmethyl)amino]-9-purinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[benzyl(furan-2-ylmethyl)amino]purine-9-carboxylate Traditional Name: 6-[benzyl(2-furfuryl)amino]purine-9-carboxylic acid benzyl ester Formula: C25H21N5O3 MolecularWeight: 439.46594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CO2)C3=NC=NC4=C3N=CN4C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CO2)C3=NC=NC4=C3N=CN4C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C25H21N5O3/c31-25(33-16-20-10-5-2-6-11-20)30-18-28-22-23(26-17-27-24(22)30)29(15-21-12-7-13-32-21)14-19-8-3-1-4-9-19/h1-13,17-18H,14-16H2