9-cyclopentyl-1-[(4-nitrophenyl)methyl]purin-6-imine hydrobromide

Systemtic Name: 9-cyclopentyl-1-[(4-nitrophenyl)methyl]purin-6-imine hydrobromide Openeye Name: 9-cyclopentyl-1-[(4-nitrophenyl)methyl]purin-6-imine hydrobromide CAS Name: 9-cyclopentyl-1-[(4-nitrophenyl)methyl]-6-purinimine hydrobromide IUPAC Name: 9-cyclopentyl-1-[(4-nitrophenyl)methyl]purin-6-imine hydrobromide Traditional Name: [9-cyclopentyl-1-(4-nitrobenzyl)purin-6-ylidene]amine hydrobromide Formula: C17H19BrN6O2 MolecularWeight: 419.27576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6O2.BrH/c18-16-15-17(22(11-19-15)13-3-1-2-4-13)20-10-21(16)9-12-5-7-14(8-6-12)23(24)25;/h5-8,10-11,13,18H,1-4,9H2;1H