7-[[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]methyl]-8-methyl-3H-purine-2,6-dione

Systemtic Name: 7-[[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]methyl]-8-methyl-3H-purine-2,6-dione Openeye Name: 7-[[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]methyl]-8-methyl-3H-purine-2,6-dione CAS Name: 7-[[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]methyl]-8-methyl-3H-purine-2,6-dione IUPAC Name: 7-[[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]methyl]-8-methyl-3H-purine-2,6-dione Traditional Name: 7-[[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]methyl]-8-methyl-xanthine Formula: C10H9ClN6O3 MolecularWeight: 296.66986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=NOC(=N3)CCl)C(=O)NC(=O)N2

Isomeric SMILES

CC1=NC2=C(N1CC3=NOC(=N3)CCl)C(=O)NC(=O)N2

InChI

InChI=1S/C10H9ClN6O3/c1-4-12-8-7(9(18)15-10(19)14-8)17(4)3-5-13-6(2-11)20-16-5/h2-3H2,1H3,(H2,14,15,18,19)