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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NO1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCC1=NC(=NO1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

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