[5-(2-azanyl-6-chloranyl-purin-9-yl)oxolan-3-yl]methyl benzoate

Systemtic Name: [5-(2-azanyl-6-chloranyl-purin-9-yl)oxolan-3-yl]methyl benzoate Openeye Name: [5-(2-amino-6-chloro-purin-9-yl)tetrahydrofuran-3-yl]methyl benzoate CAS Name: benzoic acid [5-(2-amino-6-chloro-9-purinyl)-3-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-chloropurin-9-yl)oxolan-3-yl]methyl benzoate Traditional Name: benzoic acid [5-(2-amino-6-chloro-purin-9-yl)tetrahydrofuran-3-yl]methyl ester Formula: C17H16ClN5O3 MolecularWeight: 373.79364

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC1N2C=NC3=C2N=C(N=C3Cl)N)COC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(COC1N2C=NC3=C2N=C(N=C3Cl)N)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C17H16ClN5O3/c18-14-13-15(22-17(19)21-14)23(9-20-13)12-6-10(7-25-12)8-26-16(24)11-4-2-1-3-5-11/h1-5,9-10,12H,6-8H2,(H2,19,21,22)