7-(1,8-diazabicyclo[4.2.0]octan-7-ylmethyl)-1,3-dimethyl-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 7-(1,8-diazabicyclo[4.2.0]octan-7-ylmethyl)-1,3-dimethyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-(1,8-diazabicyclo[4.2.0]octan-7-ylmethyl)-1,3-dimethyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-(1,8-diazabicyclo[4.2.0]octan-7-ylmethyl)-1,3-dimethyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-(1,8-diazabicyclo[4.2.0]octan-7-ylmethyl)-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-(1,8-diazabicyclo[4.2.0]octan-7-ylmethyl)-1,3-dimethyl-8-piperidino-xanthine Formula: C19H29N7O2 MolecularWeight: 387.47926

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC4C5CCCCN5N4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC4C5CCCCN5N4

InChI

InChI=1S/C19H29N7O2/c1-22-16-15(17(27)23(2)19(22)28)25(18(20-16)24-9-5-3-6-10-24)12-13-14-8-4-7-11-26(14)21-13/h13-14,21H,3-12H2,1-2H3