7-(furan-2-ylmethyl)-1-(2-oxidanyl-2-phenyl-ethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(furan-2-ylmethyl)-1-(2-oxidanyl-2-phenyl-ethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-furylmethyl)-1-(2-hydroxy-2-phenyl-ethyl)purine-2,6-dione CAS Name: 7-(2-furanylmethyl)-1-(2-hydroxy-2-phenylethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(furan-2-ylmethyl)-1-(2-hydroxy-2-phenylethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-(2-furfuryl)-1-(2-hydroxy-2-phenyl-ethyl)xanthine Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=O)N(C2=O)CC(C4=CC=CC=C4)O)N(C=N3)CC5=CC=CO5

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=O)N(C2=O)CC(C4=CC=CC=C4)O)N(C=N3)CC5=CC=CO5

InChI

InChI=1S/C25H22N4O4/c30-21(19-10-5-2-6-11-19)16-29-24(31)22-23(26-17-27(22)15-20-12-7-13-33-20)28(25(29)32)14-18-8-3-1-4-9-18/h1-13,17,21,30H,14-16H2