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

Systemtic Name: 8-(azepan-1-yl)-7-dodecyl-3-methyl-purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-7-dodecyl-3-methyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-7-dodecyl-3-methylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-7-dodecyl-3-methylpurine-2,6-dione Traditional Name: 8-(azepan-1-yl)-7-lauryl-3-methyl-xanthine Formula: C24H41N5O2 MolecularWeight: 431.61464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C24H41N5O2/c1-3-4-5-6-7-8-9-10-11-16-19-29-20-21(27(2)24(31)26-22(20)30)25-23(29)28-17-14-12-13-15-18-28/h3-19H2,1-2H3,(H,26,30,31)