[2-[[(9-chloranylpurin-2-yl)amino]methyl]cyclohexyl]methyl benzoate

Systemtic Name: [2-[[(9-chloranylpurin-2-yl)amino]methyl]cyclohexyl]methyl benzoate Openeye Name: [2-[[(9-chloropurin-2-yl)amino]methyl]cyclohexyl]methyl benzoate CAS Name: benzoic acid [2-[[(9-chloro-2-purinyl)amino]methyl]cyclohexyl]methyl ester IUPAC Name: [2-[[(9-chloropurin-2-yl)amino]methyl]cyclohexyl]methyl benzoate Traditional Name: benzoic acid [2-[[(9-chloropurin-2-yl)amino]methyl]cyclohexyl]methyl ester Formula: C20H22ClN5O2 MolecularWeight: 399.87398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CNC2=NC=C3C(=N2)N(C=N3)Cl)COC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C(C1)CNC2=NC=C3C(=N2)N(C=N3)Cl)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H22ClN5O2/c21-26-13-24-17-11-23-20(25-18(17)26)22-10-15-8-4-5-9-16(15)12-28-19(27)14-6-2-1-3-7-14/h1-3,6-7,11,13,15-16H,4-5,8-10,12H2,(H,22,23,25)