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

Systemtic Name: 8-(azepan-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-3-methyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-(1-azepanyl)-3-methyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(azepan-1-yl)-3-methyl-7-(1-naphthylmethyl)xanthine Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C23H25N5O2/c1-26-20-19(21(29)25-23(26)30)28(22(24-20)27-13-6-2-3-7-14-27)15-17-11-8-10-16-9-4-5-12-18(16)17/h4-5,8-12H,2-3,6-7,13-15H2,1H3,(H,25,29,30)