[(2R,5S)-5-(6-azanyl-2-chloranyl-purin-9-yl)-2,5-dihydrofuran-2-yl]methyl benzoate

Systemtic Name: [(2R,5S)-5-(6-azanyl-2-chloranyl-purin-9-yl)-2,5-dihydrofuran-2-yl]methyl benzoate Openeye Name: [(2R,5S)-5-(6-amino-2-chloro-purin-9-yl)-2,5-dihydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,5S)-5-(6-amino-2-chloro-9-purinyl)-2,5-dihydrofuran-2-yl]methyl ester IUPAC Name: [(2R,5S)-5-(6-amino-2-chloropurin-9-yl)-2,5-dihydrofuran-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,5S)-5-(6-amino-2-chloro-purin-9-yl)-2,5-dihydrofuran-2-yl]methyl ester Formula: C17H14ClN5O3 MolecularWeight: 371.77776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C=CC(O2)N3C=NC4=C3N=C(N=C4N)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@H]2C=C[C@H](O2)N3C=NC4=C3N=C(N=C4N)Cl

InChI

InChI=1S/C17H14ClN5O3/c18-17-21-14(19)13-15(22-17)23(9-20-13)12-7-6-11(26-12)8-25-16(24)10-4-2-1-3-5-10/h1-7,9,11-12H,8H2,(H2,19,21,22)/t11-,12+/m1/s1