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

Systemtic Name: 3-methyl-7-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]purine-2,6-dione Openeye Name: 3-methyl-7-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]purine-2,6-dione CAS Name: 3-methyl-7-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]purine-2,6-dione IUPAC Name: 3-methyl-7-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]purine-2,6-dione Traditional Name: 3-methyl-7-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]xanthine Formula: C11H12N6O3 MolecularWeight: 276.25138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)CCN2C=NC3=C2C(=O)NC(=O)N3C

Isomeric SMILES

CC1=NC(=NO1)CCN2C=NC3=C2C(=O)NC(=O)N3C

InChI

InChI=1S/C11H12N6O3/c1-6-13-7(15-20-6)3-4-17-5-12-9-8(17)10(18)14-11(19)16(9)2/h5H,3-4H2,1-2H3,(H,14,18,19)