7-butyl-1-[2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-butyl-1-[2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]purine-2,6-dione CAS Name: 7-butyl-1-[2-oxo-2-(2-oxo-1-imidazolidinyl)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-1-[2-keto-2-(2-ketoimidazolidin-1-yl)ethyl]xanthine Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCNC4=O

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCNC4=O

InChI

InChI=1S/C21H24N6O4/c1-2-3-10-24-14-23-18-17(24)19(29)27(13-16(28)25-11-9-22-20(25)30)21(31)26(18)12-15-7-5-4-6-8-15/h4-8,14H,2-3,9-13H2,1H3,(H,22,30)