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

Systemtic Name: N-[2-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]ethyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethyl]-4-fluoro-benzamide CAS Name: N-[2-[(2-chloro-9-cyclopentyl-6-purinyl)amino]ethyl]-4-fluorobenzamide IUPAC Name: N-[2-[(2-chloro-9-cyclopentylpurin-6-yl)amino]ethyl]-4-fluorobenzamide Traditional Name: N-[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethyl]-4-fluoro-benzamide Formula: C19H20ClFN6O MolecularWeight: 402.853103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNC(=O)C4=CC=C(C=C4)F)Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNC(=O)C4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C19H20ClFN6O/c20-19-25-16(15-17(26-19)27(11-24-15)14-3-1-2-4-14)22-9-10-23-18(28)12-5-7-13(21)8-6-12/h5-8,11,14H,1-4,9-10H2,(H,23,28)(H,22,25,26)