7-(2-morpholin-4-ylethyl)-8-naphthalen-2-yl-3-propyl-purine-2,6-dione

Systemtic Name: 7-(2-morpholin-4-ylethyl)-8-naphthalen-2-yl-3-propyl-purine-2,6-dione Openeye Name: 7-(2-morpholinoethyl)-8-(2-naphthyl)-3-propyl-purine-2,6-dione CAS Name: 7-[2-(4-morpholinyl)ethyl]-8-(2-naphthalenyl)-3-propylpurine-2,6-dione IUPAC Name: 7-(2-morpholin-4-ylethyl)-8-naphthalen-2-yl-3-propylpurine-2,6-dione Traditional Name: 7-(2-morpholinoethyl)-8-(2-naphthyl)-3-propyl-xanthine Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=CC=CC=C4C=C3)CCN5CCOCC5

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=CC=CC=C4C=C3)CCN5CCOCC5

InChI

InChI=1S/C24H27N5O3/c1-2-9-29-22-20(23(30)26-24(29)31)28(11-10-27-12-14-32-15-13-27)21(25-22)19-8-7-17-5-3-4-6-18(17)16-19/h3-8,16H,2,9-15H2,1H3,(H,26,30,31)