9-cyclopentyl-1-(phenylmethyl)purin-6-imine bromide

Systemtic Name: 9-cyclopentyl-1-(phenylmethyl)purin-6-imine bromide Openeye Name: 1-benzyl-9-cyclopentyl-purin-6-imine bromide CAS Name: 9-cyclopentyl-1-(phenylmethyl)-6-purinimine bromide IUPAC Name: 1-benzyl-9-cyclopentylpurin-6-imine bromide Traditional Name: (1-benzyl-9-cyclopentyl-purin-6-ylidene)amine bromide Formula: C17H19BrN5- MolecularWeight: 373.27026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=CN(C3=N)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=CN(C3=N)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C17H19N5.BrH/c18-16-15-17(22(12-19-15)14-8-4-5-9-14)20-11-21(16)10-13-6-2-1-3-7-13;/h1-3,6-7,11-12,14,18H,4-5,8-10H2;1H/p-1