9-butyl-8-[(3-methoxyphenyl)methyl]purin-6-amine

Systemtic Name: 9-butyl-8-[(3-methoxyphenyl)methyl]purin-6-amine Openeye Name: 9-butyl-8-[(3-methoxyphenyl)methyl]purin-6-amine CAS Name: 9-butyl-8-[(3-methoxyphenyl)methyl]-6-purinamine IUPAC Name: 9-butyl-8-[(3-methoxyphenyl)methyl]purin-6-amine Traditional Name: (9-butyl-8-m-anisyl-purin-6-yl)amine Formula: C17H21N5O MolecularWeight: 311.38154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O/c1-3-4-8-22-14(10-12-6-5-7-13(9-12)23-2)21-15-16(18)19-11-20-17(15)22/h5-7,9,11H,3-4,8,10H2,1-2H3,(H2,18,19,20)