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

Systemtic Name: 9-(2-methylbutyl)-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Openeye Name: 9-(2-methylbutyl)-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine CAS Name: 9-(2-methylbutyl)-8-[(3,4,5-trimethoxyphenyl)methyl]-6-purinamine IUPAC Name: 9-(2-methylbutyl)-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Traditional Name: [9-(2-methylbutyl)-8-(3,4,5-trimethoxybenzyl)purin-6-yl]amine Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN1C(=NC2=C1N=CN=C2N)CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCC(C)CN1C(=NC2=C1N=CN=C2N)CC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C20H27N5O3/c1-6-12(2)10-25-16(24-17-19(21)22-11-23-20(17)25)9-13-7-14(26-3)18(28-5)15(8-13)27-4/h7-8,11-12H,6,9-10H2,1-5H3,(H2,21,22,23)