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

Systemtic Name: N2-butyl-9-[(4-butylphenyl)methyl]purine-2,6-diamine Openeye Name: N2-butyl-9-[(4-butylphenyl)methyl]purine-2,6-diamine CAS Name: N2-butyl-9-[(4-butylphenyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-butyl-9-[(4-butylphenyl)methyl]purine-2,6-diamine Traditional Name: [6-amino-9-(4-butylbenzyl)purin-2-yl]-butyl-amine Formula: C20H28N6 MolecularWeight: 352.47652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3N)NCCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3N)NCCCC

InChI

InChI=1S/C20H28N6/c1-3-5-7-15-8-10-16(11-9-15)13-26-14-23-17-18(21)24-20(25-19(17)26)22-12-6-4-2/h8-11,14H,3-7,12-13H2,1-2H3,(H3,21,22,24,25)