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

Systemtic Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-(1-naphthylmethyl)-8-(1-piperidyl)purine-2,6-dione CAS Name: 3-methyl-7-(1-naphthalenylmethyl)-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-(1-naphthylmethyl)-8-piperidino-xanthine Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C22H23N5O2/c1-25-19-18(20(28)24-22(25)29)27(21(23-19)26-12-5-2-6-13-26)14-16-10-7-9-15-8-3-4-11-17(15)16/h3-4,7-11H,2,5-6,12-14H2,1H3,(H,24,28,29)