7-hexadecyl-3-methyl-8-morpholin-4-yl-purine-2,6-dione

Systemtic Name: 7-hexadecyl-3-methyl-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 7-hexadecyl-3-methyl-8-morpholino-purine-2,6-dione CAS Name: 7-hexadecyl-3-methyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-hexadecyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-cetyl-3-methyl-8-morpholino-xanthine Formula: C26H45N5O3 MolecularWeight: 475.6672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1N3CCOCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1N3CCOCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C26H45N5O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-31-22-23(29(2)26(33)28-24(22)32)27-25(31)30-18-20-34-21-19-30/h3-21H2,1-2H3,(H,28,32,33)