5-[6-[(2-methoxy-5-methyl-phenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 5-[6-[(2-methoxy-5-methyl-phenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 4-hydroxy-5-[6-[(2-methoxy-5-methyl-phenyl)methylamino]purin-9-yl]tetrahydrofuran-2-carboxylic acid CAS Name: 4-hydroxy-5-[6-[(2-methoxy-5-methylphenyl)methylamino]-9-purinyl]-2-oxolanecarboxylic acid IUPAC Name: 4-hydroxy-5-[6-[(2-methoxy-5-methylphenyl)methylamino]purin-9-yl]oxolane-2-carboxylic acid Traditional Name: 4-hydroxy-5-[6-[(2-methoxy-5-methyl-benzyl)amino]purin-9-yl]tetrahydrofuran-2-carboxylic acid Formula: C19H21N5O5 MolecularWeight: 399.40054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CNC2=NC=NC3=C2N=CN3C4C(CC(O4)C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CNC2=NC=NC3=C2N=CN3C4C(CC(O4)C(=O)O)O

InChI

InChI=1S/C19H21N5O5/c1-10-3-4-13(28-2)11(5-10)7-20-16-15-17(22-8-21-16)24(9-23-15)18-12(25)6-14(29-18)19(26)27/h3-5,8-9,12,14,18,25H,6-7H2,1-2H3,(H,26,27)(H,20,21,22)