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

Systemtic Name: 8-(azepan-1-yl)-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-(azepan-1-yl)-3-methyl-xanthine Formula: C17H27N5O2 MolecularWeight: 333.42858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H27N5O2/c1-3-4-7-12-22-13-14(20(2)17(24)19-15(13)23)18-16(22)21-10-8-5-6-9-11-21/h3-12H2,1-2H3,(H,19,23,24)