8-azanyl-3-methyl-1,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-azanyl-3-methyl-1,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 8-amino-1,7-dibenzyl-3-methyl-purine-2,6-dione CAS Name: 8-amino-3-methyl-1,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 8-amino-1,7-dibenzyl-3-methylpurine-2,6-dione Traditional Name: 8-amino-1,7-dibenzyl-3-methyl-xanthine Formula: C20H19N5O2 MolecularWeight: 361.39716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O2/c1-23-17-16(24(19(21)22-17)12-14-8-4-2-5-9-14)18(26)25(20(23)27)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H2,21,22)