8-bromanyl-2-pentyl-9-(phenylmethyl)purin-6-amine

Systemtic Name: 8-bromanyl-2-pentyl-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-8-bromo-2-pentyl-purin-6-amine CAS Name: 8-bromo-2-pentyl-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-8-bromo-2-pentylpurin-6-amine Traditional Name: (2-amyl-9-benzyl-8-bromo-purin-6-yl)amine Formula: C17H20BrN5 MolecularWeight: 374.2782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

InChI

InChI=1S/C17H20BrN5/c1-2-3-5-10-13-20-15(19)14-16(21-13)23(17(18)22-14)11-12-8-6-4-7-9-12/h4,6-9H,2-3,5,10-11H2,1H3,(H2,19,20,21)