7-hexyl-3-methyl-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 7-hexyl-3-methyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-hexyl-3-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-hexyl-3-methyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-hexyl-3-methyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-hexyl-3-methyl-8-piperidino-xanthine Formula: C17H27N5O2 MolecularWeight: 333.42858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)C

InChI

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