3-methyl-8-(4-methylpiperidin-1-yl)-7-pentyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(4-methylpiperidin-1-yl)-7-pentyl-purine-2,6-dione Openeye Name: 3-methyl-8-(4-methyl-1-piperidyl)-7-pentyl-purine-2,6-dione CAS Name: 3-methyl-8-(4-methyl-1-piperidinyl)-7-pentylpurine-2,6-dione IUPAC Name: 3-methyl-8-(4-methylpiperidin-1-yl)-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-methyl-8-(4-methylpiperidino)xanthine Formula: C17H27N5O2 MolecularWeight: 333.42858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1N3CCC(CC3)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N3CCC(CC3)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H27N5O2/c1-4-5-6-9-22-13-14(20(3)17(24)19-15(13)23)18-16(22)21-10-7-12(2)8-11-21/h12H,4-11H2,1-3H3,(H,19,23,24)