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

Systemtic Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-(pyrrolidin-1-ylmethyl)purine-2,6-dione Openeye Name: 3-methyl-7-(1-naphthylmethyl)-8-(pyrrolidin-1-ylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-(1-naphthalenylmethyl)-8-(1-pyrrolidinylmethyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-(pyrrolidin-1-ylmethyl)purine-2,6-dione Traditional Name: 3-methyl-7-(1-naphthylmethyl)-8-(pyrrolidinomethyl)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)CN3CCCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C22H23N5O2/c1-25-20-19(21(28)24-22(25)29)27(18(23-20)14-26-11-4-5-12-26)13-16-9-6-8-15-7-2-3-10-17(15)16/h2-3,6-10H,4-5,11-14H2,1H3,(H,24,28,29)