8-(hydroxymethyl)-7-(2-oxidanylidenebutyl)-3-(phenylmethyl)-1-propyl-purine-2,6-dione

Systemtic Name: 8-(hydroxymethyl)-7-(2-oxidanylidenebutyl)-3-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 3-benzyl-8-(hydroxymethyl)-7-(2-oxobutyl)-1-propyl-purine-2,6-dione CAS Name: 8-(hydroxymethyl)-7-(2-oxobutyl)-3-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 3-benzyl-8-(hydroxymethyl)-7-(2-oxobutyl)-1-propylpurine-2,6-dione Traditional Name: 3-benzyl-7-(2-ketobutyl)-8-methylol-1-propyl-xanthine Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC(=O)CC)CO)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC(=O)CC)CO)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O4/c1-3-10-22-19(27)17-18(21-16(13-25)23(17)12-15(26)4-2)24(20(22)28)11-14-8-6-5-7-9-14/h5-9,25H,3-4,10-13H2,1-2H3