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

Systemtic Name: 3-methyl-7-[4-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]butyl]purine-2,6-dione Openeye Name: 3-methyl-7-[4-[5-[2-(1-piperidyl)ethyl]-1,2,4-oxadiazol-3-yl]butyl]purine-2,6-dione CAS Name: 3-methyl-7-[4-[5-[2-(1-piperidinyl)ethyl]-1,2,4-oxadiazol-3-yl]butyl]purine-2,6-dione IUPAC Name: 3-methyl-7-[4-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]butyl]purine-2,6-dione Traditional Name: 3-methyl-7-[4-[5-(2-piperidinoethyl)-1,2,4-oxadiazol-3-yl]butyl]xanthine Formula: C19H27N7O3 MolecularWeight: 401.46278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CCCCC3=NOC(=N3)CCN4CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CCCCC3=NOC(=N3)CCN4CCCCC4

InChI

InChI=1S/C19H27N7O3/c1-24-17-16(18(27)22-19(24)28)26(13-20-17)11-6-3-7-14-21-15(29-23-14)8-12-25-9-4-2-5-10-25/h13H,2-12H2,1H3,(H,22,27,28)