9-butyl-8-[(2,5-dimethoxyphenyl)methyl]purin-6-amine

Systemtic Name: 9-butyl-8-[(2,5-dimethoxyphenyl)methyl]purin-6-amine Openeye Name: 9-butyl-8-[(2,5-dimethoxyphenyl)methyl]purin-6-amine CAS Name: 9-butyl-8-[(2,5-dimethoxyphenyl)methyl]-6-purinamine IUPAC Name: 9-butyl-8-[(2,5-dimethoxyphenyl)methyl]purin-6-amine Traditional Name: [9-butyl-8-(2,5-dimethoxybenzyl)purin-6-yl]amine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1N=CN=C2N)CC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCCCN1C(=NC2=C1N=CN=C2N)CC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C18H23N5O2/c1-4-5-8-23-15(22-16-17(19)20-11-21-18(16)23)10-12-9-13(24-2)6-7-14(12)25-3/h6-7,9,11H,4-5,8,10H2,1-3H3,(H2,19,20,21)