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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CCC3=NOC(=N3)CN4CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CCC3=NOC(=N3)CN4CCCCC4

InChI

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