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

Systemtic Name: 1,3-dimethyl-7-[[5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[[5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[[5-[2-(1-pyrrolidinyl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[[5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[[5-(2-pyrrolidinoethyl)-1,2,4-oxadiazol-3-yl]methyl]xanthine Formula: C16H21N7O3 MolecularWeight: 359.38304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NOC(=N3)CCN4CCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NOC(=N3)CCN4CCCC4

InChI

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