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

Systemtic Name: 3-methyl-7-[3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]propyl]purine-2,6-dione Openeye Name: 3-methyl-7-[3-[5-[2-(1-piperidyl)ethyl]-1,2,4-oxadiazol-3-yl]propyl]purine-2,6-dione CAS Name: 3-methyl-7-[3-[5-[2-(1-piperidinyl)ethyl]-1,2,4-oxadiazol-3-yl]propyl]purine-2,6-dione IUPAC Name: 3-methyl-7-[3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]propyl]purine-2,6-dione Traditional Name: 3-methyl-7-[3-[5-(2-piperidinoethyl)-1,2,4-oxadiazol-3-yl]propyl]xanthine Formula: C18H25N7O3 MolecularWeight: 387.4362

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CCCC3=NOC(=N3)CCN4CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CCCC3=NOC(=N3)CCN4CCCCC4

InChI

InChI=1S/C18H25N7O3/c1-23-16-15(17(26)21-18(23)27)25(12-19-16)10-5-6-13-20-14(28-22-13)7-11-24-8-3-2-4-9-24/h12H,2-11H2,1H3,(H,21,26,27)