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

Systemtic Name: 1,3-dimethyl-7-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]purine-2,6-dione Openeye Name: 7-[1-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]purine-2,6-dione Traditional Name: 7-[1-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-dimethyl-xanthine Formula: C14H18N6O3 MolecularWeight: 318.33112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)C(C)N2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)C1=NOC(=N1)C(C)N2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C14H18N6O3/c1-7(2)10-16-12(23-17-10)8(3)20-6-15-11-9(20)13(21)19(5)14(22)18(11)4/h6-8H,1-5H3