7-(furan-2-ylmethyl)-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(furan-2-ylmethyl)-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-furylmethyl)-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)purine-2,6-dione CAS Name: 7-(2-furanylmethyl)-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(furan-2-ylmethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-(2-furfuryl)-1-(2-keto-2-pyrrolidino-ethyl)xanthine Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2C(=O)C3=C(N=CN3CC4=CC=CO4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)CN2C(=O)C3=C(N=CN3CC4=CC=CO4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C23H23N5O4/c29-19(25-10-4-5-11-25)15-28-22(30)20-21(24-16-26(20)14-18-9-6-12-32-18)27(23(28)31)13-17-7-2-1-3-8-17/h1-3,6-9,12,16H,4-5,10-11,13-15H2