8-chloranyl-7-methyl-3H-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-methyl-3H-purine-2,6-dione Openeye Name: 8-chloro-7-methyl-3H-purine-2,6-dione CAS Name: 8-chloro-7-methyl-3H-purine-2,6-dione IUPAC Name: 8-chloro-7-methyl-3H-purine-2,6-dione Traditional Name: 8-chloro-7-methyl-xanthine Formula: C6H5ClN4O2 MolecularWeight: 200.5825

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(NC(=O)NC2=O)N=C1Cl

Isomeric SMILES

CN1C2=C(NC(=O)NC2=O)N=C1Cl

InChI

InChI=1S/C6H5ClN4O2/c1-11-2-3(8-5(11)7)9-6(13)10-4(2)12/h1H3,(H2,9,10,12,13)