3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)-8-[(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-(benzylamino)-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-xanthine Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CC(COC4=CC=CC=C4)O

InChI

InChI=1S/C22H23N5O4/c1-26-19-18(20(29)25-22(26)30)27(13-16(28)14-31-17-10-6-3-7-11-17)21(24-19)23-12-15-8-4-2-5-9-15/h2-11,16,28H,12-14H2,1H3,(H,23,24)(H,25,29,30)