1,3-dimethyl-7-(3-methylbutyl)-8-piperidin-1-yl-purine-2,6-dione

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)C)C

InChI

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