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

Systemtic Name: 3-methyl-7-[4-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]purine-2,6-dione Openeye Name: 3-methyl-7-[4-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]purine-2,6-dione CAS Name: 3-methyl-7-[4-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]purine-2,6-dione IUPAC Name: 3-methyl-7-[4-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]purine-2,6-dione Traditional Name: 3-methyl-7-[4-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]xanthine Formula: C13H16N6O3 MolecularWeight: 304.30454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)CCCCN2C=NC3=C2C(=O)NC(=O)N3C

Isomeric SMILES

CC1=NC(=NO1)CCCCN2C=NC3=C2C(=O)NC(=O)N3C

InChI

InChI=1S/C13H16N6O3/c1-8-15-9(17-22-8)5-3-4-6-19-7-14-11-10(19)12(20)16-13(21)18(11)2/h7H,3-6H2,1-2H3,(H,16,20,21)