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

Systemtic Name: 8-(cyclohexylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1,3-dimethyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(cyclohexylamino)-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)NC3CCCCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C24H27N5O2/c1-27-21-20(22(30)28(2)24(27)31)29(23(26-21)25-18-12-4-3-5-13-18)15-17-11-8-10-16-9-6-7-14-19(16)17/h6-11,14,18H,3-5,12-13,15H2,1-2H3,(H,25,26)