8-bromanyl-N2-pentyl-9-(phenylmethyl)purine-2,6-diamine

Systemtic Name: 8-bromanyl-N2-pentyl-9-(phenylmethyl)purine-2,6-diamine Openeye Name: 9-benzyl-8-bromo-N2-pentyl-purine-2,6-diamine CAS Name: 8-bromo-N2-pentyl-9-(phenylmethyl)purine-2,6-diamine IUPAC Name: 9-benzyl-8-bromo-2-N-pentylpurine-2,6-diamine Traditional Name: (6-amino-9-benzyl-8-bromo-purin-2-yl)-amyl-amine Formula: C17H21BrN6 MolecularWeight: 389.29284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCNC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

InChI

InChI=1S/C17H21BrN6/c1-2-3-7-10-20-17-22-14(19)13-15(23-17)24(16(18)21-13)11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3,(H3,19,20,22,23)