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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=N1)C(C)N2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCC1=NOC(=N1)C(C)N2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C14H18N6O3/c1-5-6-9-16-12(23-17-9)8(2)20-7-15-11-10(20)13(21)19(4)14(22)18(11)3/h7-8H,5-6H2,1-4H3