[2-[(2-azanylpurin-9-yl)methyl]cyclohexyl]methyl benzoate

Systemtic Name: [2-[(2-azanylpurin-9-yl)methyl]cyclohexyl]methyl benzoate Openeye Name: [2-[(2-aminopurin-9-yl)methyl]cyclohexyl]methyl benzoate CAS Name: benzoic acid [2-[(2-amino-9-purinyl)methyl]cyclohexyl]methyl ester IUPAC Name: [2-[(2-aminopurin-9-yl)methyl]cyclohexyl]methyl benzoate Traditional Name: benzoic acid [2-[(2-aminopurin-9-yl)methyl]cyclohexyl]methyl ester Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CN2C=NC3=CN=C(N=C32)N)COC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C(C1)CN2C=NC3=CN=C(N=C32)N)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H23N5O2/c21-20-22-10-17-18(24-20)25(13-23-17)11-15-8-4-5-9-16(15)12-27-19(26)14-6-2-1-3-7-14/h1-3,6-7,10,13,15-16H,4-5,8-9,11-12H2,(H2,21,22,24)