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

Systemtic Name: [5-(6-azanyl-2-chloranyl-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl benzoate Openeye Name: [5-(6-amino-2-chloro-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(6-amino-2-chloro-9-purinyl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(6-amino-2-chloro-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C17H16ClN5O4 MolecularWeight: 389.79304

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=C(N=C3N)Cl)COC(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=C(N=C3N)Cl)COC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C17H16ClN5O4/c18-17-21-14(19)13-15(22-17)23(8-20-13)12-6-10(24)11(27-12)7-26-16(25)9-4-2-1-3-5-9/h1-5,8,10-12,24H,6-7H2,(H2,19,21,22)