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

Systemtic Name: 8-(azepan-1-yl)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-(1-azepanyl)-1,3-dimethyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(azepan-1-yl)-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C24H27N5O2/c1-26-21-20(22(30)27(2)24(26)31)29(23(25-21)28-14-7-3-4-8-15-28)16-18-12-9-11-17-10-5-6-13-19(17)18/h5-6,9-13H,3-4,7-8,14-16H2,1-2H3