8-iodanyl-1,3-dimethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]purine-2,6-dione

Systemtic Name: 8-iodanyl-1,3-dimethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]purine-2,6-dione Openeye Name: 8-iodo-1,3-dimethyl-9-[(5-methylisoxazol-3-yl)methyl]purine-2,6-dione CAS Name: 8-iodo-1,3-dimethyl-9-[(5-methyl-3-isoxazolyl)methyl]purine-2,6-dione IUPAC Name: 8-iodo-1,3-dimethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]purine-2,6-dione Traditional Name: 8-iodo-1,3-dimethyl-9-[(5-methylisoxazol-3-yl)methyl]xanthine Formula: C12H12IN5O3 MolecularWeight: 401.15985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2I

Isomeric SMILES

CC1=CC(=NO1)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2I

InChI

InChI=1S/C12H12IN5O3/c1-6-4-7(15-21-6)5-18-9-8(14-11(18)13)10(19)17(3)12(20)16(9)2/h4H,5H2,1-3H3