7-[3-(2,2-diphenylethylamino)propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-(2,2-diphenylethylamino)propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-(2,2-diphenylethylamino)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-(2,2-diphenylethylamino)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(2,2-diphenylethylamino)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(2,2-diphenylethylamino)propyl]-1,3-dimethyl-xanthine Formula: C24H27N5O2 MolecularWeight: 417.50348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2/c1-27-22-21(23(30)28(2)24(27)31)29(17-26-22)15-9-14-25-16-20(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20,25H,9,14-16H2,1-2H3