9-(oxolan-2-ylmethyl)-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine

Systemtic Name: 9-(oxolan-2-ylmethyl)-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Openeye Name: 9-(tetrahydrofuran-2-ylmethyl)-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine CAS Name: 9-(2-oxolanylmethyl)-8-[(3,4,5-trimethoxyphenyl)methyl]-6-purinamine IUPAC Name: 9-(oxolan-2-ylmethyl)-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Traditional Name: [9-(tetrahydrofurfuryl)-8-(3,4,5-trimethoxybenzyl)purin-6-yl]amine Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=NC3=C(N2CC4CCCO4)N=CN=C3N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=NC3=C(N2CC4CCCO4)N=CN=C3N

InChI

InChI=1S/C20H25N5O4/c1-26-14-7-12(8-15(27-2)18(14)28-3)9-16-24-17-19(21)22-11-23-20(17)25(16)10-13-5-4-6-29-13/h7-8,11,13H,4-6,9-10H2,1-3H3,(H2,21,22,23)