1,3-dimethyl-7-pentyl-8-piperidin-1-yl-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H27N5O2/c1-4-5-7-12-22-13-14(19(2)17(24)20(3)15(13)23)18-16(22)21-10-8-6-9-11-21/h4-12H2,1-3H3