3,4-bis(oxidanyl)-5-[6-(1-phenylpropan-2-ylamino)purin-9-yl]oxolane-2-carboxylic acid

Systemtic Name: 3,4-bis(oxidanyl)-5-[6-(1-phenylpropan-2-ylamino)purin-9-yl]oxolane-2-carboxylic acid Openeye Name: 3,4-dihydroxy-5-[6-[(1-methyl-2-phenyl-ethyl)amino]purin-9-yl]tetrahydrofuran-2-carboxylic acid CAS Name: 3,4-dihydroxy-5-[6-(1-phenylpropan-2-ylamino)-9-purinyl]-2-oxolanecarboxylic acid IUPAC Name: 3,4-dihydroxy-5-[6-(1-phenylpropan-2-ylamino)purin-9-yl]oxolane-2-carboxylic acid Traditional Name: 3,4-dihydroxy-5-[6-[(1-methyl-2-phenyl-ethyl)amino]purin-9-yl]tetrahydrofuran-2-carboxylic acid Formula: C19H21N5O5 MolecularWeight: 399.40054

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)O)O

Isomeric SMILES

CC(CC1=CC=CC=C1)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)O)O

InChI

InChI=1S/C19H21N5O5/c1-10(7-11-5-3-2-4-6-11)23-16-12-17(21-8-20-16)24(9-22-12)18-14(26)13(25)15(29-18)19(27)28/h2-6,8-10,13-15,18,25-26H,7H2,1H3,(H,27,28)(H,20,21,23)