N2-butyl-9-[(4-methoxyphenyl)methyl]purine-2,6-diamine

Systemtic Name: N2-butyl-9-[(4-methoxyphenyl)methyl]purine-2,6-diamine Openeye Name: N2-butyl-9-[(4-methoxyphenyl)methyl]purine-2,6-diamine CAS Name: N2-butyl-9-[(4-methoxyphenyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-butyl-9-[(4-methoxyphenyl)methyl]purine-2,6-diamine Traditional Name: (6-amino-9-p-anisyl-purin-2-yl)-butyl-amine Formula: C17H22N6O MolecularWeight: 326.39618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)N=CN2CC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)N=CN2CC3=CC=C(C=C3)OC

InChI

InChI=1S/C17H22N6O/c1-3-4-9-19-17-21-15(18)14-16(22-17)23(11-20-14)10-12-5-7-13(24-2)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H3,18,19,21,22)