6-chloranyl-8-(dimethylamino)-1,3-dimethyl-5H-purin-1-ium-2-one

Systemtic Name: 6-chloranyl-8-(dimethylamino)-1,3-dimethyl-5H-purin-1-ium-2-one Openeye Name: 6-chloro-8-(dimethylamino)-1,3-dimethyl-5H-purin-1-ium-2-one CAS Name: 6-chloro-8-(dimethylamino)-1,3-dimethyl-5H-purin-1-ium-2-one IUPAC Name: 6-chloro-8-(dimethylamino)-1,3-dimethyl-5H-purin-1-ium-2-one Traditional Name: 6-chloro-8-(dimethylamino)-1,3-dimethyl-5H-purin-1-ium-2-one Formula: C9H13ClN5O+ MolecularWeight: 242.68542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC2C(=[N+](C1=O)C)Cl)N(C)C

Isomeric SMILES

CN1C2=NC(=NC2C(=[N+](C1=O)C)Cl)N(C)C

InChI

InChI=1S/C9H13ClN5O/c1-13(2)8-11-5-6(10)14(3)9(16)15(4)7(5)12-8/h5H,1-4H3/q+1