1,3-dimethyl-7-[[5-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[[5-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[[5-(1-piperidylmethyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[[5-(1-piperidinylmethyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[[5-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[[5-(piperidinomethyl)-1,2,4-oxadiazol-3-yl]methyl]xanthine Formula: C16H21N7O3 MolecularWeight: 359.38304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NOC(=N3)CN4CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NOC(=N3)CN4CCCCC4

InChI

InChI=1S/C16H21N7O3/c1-20-14-13(15(24)21(2)16(20)25)23(10-17-14)8-11-18-12(26-19-11)9-22-6-4-3-5-7-22/h10H,3-9H2,1-2H3