2-chloranyl-N-[2-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]ethyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[2-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]ethyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[2-[(2-chloro-9-cyclopentyl-6-purinyl)amino]ethyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[2-[(2-chloro-9-cyclopentylpurin-6-yl)amino]ethyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethyl]-4-nitro-benzamide Formula: C19H19Cl2N7O3 MolecularWeight: 464.30526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C19H19Cl2N7O3/c20-14-9-12(28(30)31)5-6-13(14)18(29)23-8-7-22-16-15-17(26-19(21)25-16)27(10-24-15)11-3-1-2-4-11/h5-6,9-11H,1-4,7-8H2,(H,23,29)(H,22,25,26)