[4-(2-azanyl-6-chloranyl-7H-purin-8-yl)-1,3-dioxolan-2-yl]methyl benzoate

Systemtic Name: [4-(2-azanyl-6-chloranyl-7H-purin-8-yl)-1,3-dioxolan-2-yl]methyl benzoate Openeye Name: [4-(2-amino-6-chloro-7H-purin-8-yl)-1,3-dioxolan-2-yl]methyl benzoate CAS Name: benzoic acid [4-(2-amino-6-chloro-7H-purin-8-yl)-1,3-dioxolan-2-yl]methyl ester IUPAC Name: [4-(2-amino-6-chloro-7H-purin-8-yl)-1,3-dioxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [4-(2-amino-6-chloro-7H-purin-8-yl)-1,3-dioxolan-2-yl]methyl ester Formula: C16H14ClN5O4 MolecularWeight: 375.76646

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)COC(=O)C2=CC=CC=C2)C3=NC4=C(N3)C(=NC(=N4)N)Cl

Isomeric SMILES

C1C(OC(O1)COC(=O)C2=CC=CC=C2)C3=NC4=C(N3)C(=NC(=N4)N)Cl

InChI

InChI=1S/C16H14ClN5O4/c17-12-11-14(22-16(18)20-12)21-13(19-11)9-6-24-10(26-9)7-25-15(23)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H3,18,19,20,21,22)