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

Systemtic Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(1-naphthylmethyl)-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1-naphthalenylmethyl)-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-(1-naphthylmethyl)-8-pyrrolidino-xanthine Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CC4=CC=CC5=CC=CC=C54

InChI

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