3-butyl-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-(phenylcarbonyl)purine-2,6-dione

Systemtic Name: 3-butyl-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-(phenylcarbonyl)purine-2,6-dione Openeye Name: 1-benzoyl-3-butyl-7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purine-2,6-dione CAS Name: 1-benzoyl-3-butyl-7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]purine-2,6-dione IUPAC Name: 1-benzoyl-3-butyl-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2,6-dione Traditional Name: 1-benzoyl-3-butyl-7-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)xanthine Formula: C21H24N4O7 MolecularWeight: 444.43786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)C(=O)C3=CC=CC=C3)N(C=N2)C4C(C(C(O4)CO)O)O

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)C(=O)C3=CC=CC=C3)N(C=N2)C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C21H24N4O7/c1-2-3-9-23-17-14(24(11-22-17)20-16(28)15(27)13(10-26)32-20)19(30)25(21(23)31)18(29)12-7-5-4-6-8-12/h4-8,11,13,15-16,20,26-28H,2-3,9-10H2,1H3