8-(azepan-1-yl)-7-hexadecyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-(azepan-1-yl)-7-hexadecyl-3-methyl-purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-7-hexadecyl-3-methyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-7-hexadecyl-3-methylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-7-hexadecyl-3-methylpurine-2,6-dione Traditional Name: 8-(azepan-1-yl)-7-cetyl-3-methyl-xanthine Formula: C28H49N5O2 MolecularWeight: 487.72096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C28H49N5O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-23-33-24-25(31(2)28(35)30-26(24)34)29-27(33)32-21-18-16-17-19-22-32/h3-23H2,1-2H3,(H,30,34,35)