3-methyl-8-(2-morpholin-4-ylethylamino)-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-(2-morpholin-4-ylethylamino)-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 3-methyl-8-(2-morpholinoethylamino)-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 3-methyl-8-[2-(4-morpholinyl)ethylamino]-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 3-methyl-8-(2-morpholin-4-ylethylamino)-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 3-methyl-8-(2-morpholinoethylamino)-7-(1-naphthylmethyl)xanthine Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN3CCOCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN3CCOCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C23H26N6O3/c1-27-20-19(21(30)26-23(27)31)29(15-17-7-4-6-16-5-2-3-8-18(16)17)22(25-20)24-9-10-28-11-13-32-14-12-28/h2-8H,9-15H2,1H3,(H,24,25)(H,26,30,31)