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

Systemtic Name: 8-(azepan-1-yl)-7-decyl-3-methyl-purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-7-decyl-3-methyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-7-decyl-3-methylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-7-decyl-3-methylpurine-2,6-dione Traditional Name: 8-(azepan-1-yl)-7-decyl-3-methyl-xanthine Formula: C22H37N5O2 MolecularWeight: 403.56148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H37N5O2/c1-3-4-5-6-7-8-9-14-17-27-18-19(25(2)22(29)24-20(18)28)23-21(27)26-15-12-10-11-13-16-26/h3-17H2,1-2H3,(H,24,28,29)