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

Systemtic Name: 7-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-dimethyl-xanthine Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NOC(=N3)C4CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NOC(=N3)C4CCCCC4

InChI

InChI=1S/C16H20N6O3/c1-20-13-12(15(23)21(2)16(20)24)22(9-17-13)8-11-18-14(25-19-11)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3