8-(1,4-diazepan-1-yl)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 8-(1,4-diazepan-1-yl)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-(1,4-diazepan-1-yl)-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-(1,4-diazepan-1-yl)-1,3-dimethyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-(1,4-diazepan-1-yl)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(1,4-diazepan-1-yl)-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C23H26N6O2 MolecularWeight: 418.49154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCNCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCNCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C23H26N6O2/c1-26-20-19(21(30)27(2)23(26)31)29(22(25-20)28-13-6-11-24-12-14-28)15-17-9-5-8-16-7-3-4-10-18(16)17/h3-5,7-10,24H,6,11-15H2,1-2H3