2-[(1R,2S)-2-(6-chloranylpurin-9-yl)cyclopentyl]ethyl benzoate

Systemtic Name: 2-[(1R,2S)-2-(6-chloranylpurin-9-yl)cyclopentyl]ethyl benzoate Openeye Name: 2-[(1R,2S)-2-(6-chloropurin-9-yl)cyclopentyl]ethyl benzoate CAS Name: benzoic acid 2-[(1R,2S)-2-(6-chloro-9-purinyl)cyclopentyl]ethyl ester IUPAC Name: 2-[(1R,2S)-2-(6-chloropurin-9-yl)cyclopentyl]ethyl benzoate Traditional Name: benzoic acid 2-[(1R,2S)-2-(6-chloropurin-9-yl)cyclopentyl]ethyl ester Formula: C19H19ClN4O2 MolecularWeight: 370.83276

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)N2C=NC3=C2N=CN=C3Cl)CCOC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H]([C@H](C1)N2C=NC3=C2N=CN=C3Cl)CCOC(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H19ClN4O2/c20-17-16-18(22-11-21-17)24(12-23-16)15-8-4-7-13(15)9-10-26-19(25)14-5-2-1-3-6-14/h1-3,5-6,11-13,15H,4,7-10H2/t13-,15+/m1/s1