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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCN3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCN3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C23H26N6O2/c1-26-20-19(21(30)27(2)23(26)31)28(22(25-20)29-14-7-3-6-13-24-29)15-17-11-8-10-16-9-4-5-12-18(16)17/h4-5,8-12,24H,3,6-7,13-15H2,1-2H3