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

Systemtic Name: 8-(azepan-1-yl)-7-heptyl-3-methyl-purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-7-heptyl-3-methyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-7-heptyl-3-methylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-7-heptyl-3-methylpurine-2,6-dione Traditional Name: 8-(azepan-1-yl)-7-heptyl-3-methyl-xanthine Formula: C19H31N5O2 MolecularWeight: 361.48174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H31N5O2/c1-3-4-5-6-11-14-24-15-16(22(2)19(26)21-17(15)25)20-18(24)23-12-9-7-8-10-13-23/h3-14H2,1-2H3,(H,21,25,26)