1,3-dimethyl-7-phenethyl-8-[(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-phenethyl-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-1,3-dimethyl-7-phenethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-phenethyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-1,3-dimethyl-7-phenethylpurine-2,6-dione Traditional Name: 8-(benzylamino)-1,3-dimethyl-7-phenethyl-xanthine Formula: C22H23N5O2 MolecularWeight: 389.45032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2/c1-25-19-18(20(28)26(2)22(25)29)27(14-13-16-9-5-3-6-10-16)21(24-19)23-15-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3,(H,23,24)