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

Systemtic Name: 8-(azepan-1-yl)-3-methyl-7-octyl-purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-3-methyl-7-octyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-3-methyl-7-octylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-3-methyl-7-octylpurine-2,6-dione Traditional Name: 8-(azepan-1-yl)-3-methyl-7-octyl-xanthine Formula: C20H33N5O2 MolecularWeight: 375.50832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H33N5O2/c1-3-4-5-6-7-12-15-25-16-17(23(2)20(27)22-18(16)26)21-19(25)24-13-10-8-9-11-14-24/h3-15H2,1-2H3,(H,22,26,27)