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

Systemtic Name: 9-(4-methylpentyl)-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Openeye Name: 9-isohexyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine CAS Name: 9-(4-methylpentyl)-8-[(3,4,5-trimethoxyphenyl)methyl]-6-purinamine IUPAC Name: 9-(4-methylpentyl)-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Traditional Name: [9-isohexyl-8-(3,4,5-trimethoxybenzyl)purin-6-yl]amine Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCN1C(=NC2=C1N=CN=C2N)CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(C)CCCN1C(=NC2=C1N=CN=C2N)CC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H29N5O3/c1-13(2)7-6-8-26-17(25-18-20(22)23-12-24-21(18)26)11-14-9-15(27-3)19(29-5)16(10-14)28-4/h9-10,12-13H,6-8,11H2,1-5H3,(H2,22,23,24)