8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-octyl-purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-octyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethyl-1-piperidyl)-3-methyl-7-octyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-piperidinyl)-3-methyl-7-octylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-octylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpiperidino)-3-methyl-7-octyl-xanthine Formula: C21H35N5O2 MolecularWeight: 389.5349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1N3CC(CC(C3)C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1N3CC(CC(C3)C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H35N5O2/c1-5-6-7-8-9-10-11-26-17-18(24(4)21(28)23-19(17)27)22-20(26)25-13-15(2)12-16(3)14-25/h15-16H,5-14H2,1-4H3,(H,23,27,28)