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

Systemtic Name: 3-azanyl-5-[6-[(2,5-dimethylphenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-amino-5-[6-[(2,5-dimethylphenyl)methylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-amino-5-[6-[(2,5-dimethylphenyl)methylamino]-9-purinyl]-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-amino-5-[6-[(2,5-dimethylphenyl)methylamino]purin-9-yl]-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 3-amino-5-[6-[(2,5-dimethylbenzyl)amino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O4/c1-9-3-4-10(2)11(5-9)6-21-16-13-17(23-7-22-16)25(8-24-13)18-14(26)12(20)15(29-18)19(27)28/h3-5,7-8,12,14-15,18,26H,6,20H2,1-2H3,(H,27,28)(H,21,22,23)