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

Systemtic Name: 9-pentyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Openeye Name: 9-pentyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine CAS Name: 9-pentyl-8-[(3,4,5-trimethoxyphenyl)methyl]-6-purinamine IUPAC Name: 9-pentyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Traditional Name: [9-amyl-8-(3,4,5-trimethoxybenzyl)purin-6-yl]amine Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1N=CN=C2N)CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCCCCN1C(=NC2=C1N=CN=C2N)CC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C20H27N5O3/c1-5-6-7-8-25-16(24-17-19(21)22-12-23-20(17)25)11-13-9-14(26-2)18(28-4)15(10-13)27-3/h9-10,12H,5-8,11H2,1-4H3,(H2,21,22,23)