7-[3-[bis(phenylmethyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-[bis(phenylmethyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-(dibenzylamino)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[bis(phenylmethyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(dibenzylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(dibenzylamino)-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C24H27N5O3 MolecularWeight: 433.50288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(CC3=CC=CC=C3)CC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(CC3=CC=CC=C3)CC4=CC=CC=C4)O

InChI

InChI=1S/C24H27N5O3/c1-26-22-21(23(31)27(2)24(26)32)29(17-25-22)16-20(30)15-28(13-18-9-5-3-6-10-18)14-19-11-7-4-8-12-19/h3-12,17,20,30H,13-16H2,1-2H3