8-iodanyl-1,3-dimethyl-9-(2-oxidanylidenepropyl)purine-2,6-dione

Systemtic Name: 8-iodanyl-1,3-dimethyl-9-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 9-acetonyl-8-iodo-1,3-dimethyl-purine-2,6-dione CAS Name: 8-iodo-1,3-dimethyl-9-(2-oxopropyl)purine-2,6-dione IUPAC Name: 8-iodo-1,3-dimethyl-9-(2-oxopropyl)purine-2,6-dione Traditional Name: 9-acetonyl-8-iodo-1,3-dimethyl-xanthine Formula: C10H11IN4O3 MolecularWeight: 362.12381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1I

Isomeric SMILES

CC(=O)CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1I

InChI

InChI=1S/C10H11IN4O3/c1-5(16)4-15-7-6(12-9(15)11)8(17)14(3)10(18)13(7)2/h4H2,1-3H3