7-butyl-3-(phenylmethyl)-8-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]purine-2,6-dione

Systemtic Name: 7-butyl-3-(phenylmethyl)-8-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-8-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]purine-2,6-dione CAS Name: 7-butyl-3-(phenylmethyl)-8-[[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]methyl]purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-8-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-8-[[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]thio]methyl]xanthine Formula: C24H23N7O3S MolecularWeight: 489.54952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CSC4=NN=C(O4)C5=CC=NC=C5

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CSC4=NN=C(O4)C5=CC=NC=C5

InChI

InChI=1S/C24H23N7O3S/c1-2-3-13-30-18(15-35-24-29-28-22(34-24)17-9-11-25-12-10-17)26-20-19(30)21(32)27-23(33)31(20)14-16-7-5-4-6-8-16/h4-12H,2-3,13-15H2,1H3,(H,27,32,33)