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

Systemtic Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-(1-naphthylmethyl)-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-(1-naphthalenylmethyl)-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-(1-naphthylmethyl)-8-pyrrolidino-xanthine Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C21H21N5O2/c1-24-18-17(19(27)23-21(24)28)26(20(22-18)25-11-4-5-12-25)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-3,6-10H,4-5,11-13H2,1H3,(H,23,27,28)