3-azanyl-5-[2-chloranyl-6-[(2,5-dimethoxyphenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 3-azanyl-5-[2-chloranyl-6-[(2,5-dimethoxyphenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-amino-5-[2-chloro-6-[(2,5-dimethoxyphenyl)methylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-amino-5-[2-chloro-6-[(2,5-dimethoxyphenyl)methylamino]-9-purinyl]-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-amino-5-[2-chloro-6-[(2,5-dimethoxyphenyl)methylamino]purin-9-yl]-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 3-amino-5-[2-chloro-6-[(2,5-dimethoxybenzyl)amino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C19H21ClN6O6 MolecularWeight: 464.85964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNC2=NC(=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)N)O)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNC2=NC(=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)N)O)Cl

InChI

InChI=1S/C19H21ClN6O6/c1-30-9-3-4-10(31-2)8(5-9)6-22-15-12-16(25-19(20)24-15)26(7-23-12)17-13(27)11(21)14(32-17)18(28)29/h3-5,7,11,13-14,17,27H,6,21H2,1-2H3,(H,28,29)(H,22,24,25)