2-chloranyl-1-methyl-7-(phenylmethyl)-5H-purin-7-ium-6-one

Systemtic Name: 2-chloranyl-1-methyl-7-(phenylmethyl)-5H-purin-7-ium-6-one Openeye Name: 7-benzyl-2-chloro-1-methyl-5H-purin-7-ium-6-one CAS Name: 2-chloro-1-methyl-7-(phenylmethyl)-5H-purin-7-ium-6-one IUPAC Name: 7-benzyl-2-chloro-1-methyl-5H-purin-7-ium-6-one Traditional Name: 7-benzyl-2-chloro-1-methyl-5H-purin-7-ium-6-one Formula: C13H12ClN4O+ MolecularWeight: 275.71358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2C(=NC=[N+]2CC3=CC=CC=C3)N=C1Cl

Isomeric SMILES

CN1C(=O)C2C(=NC=[N+]2CC3=CC=CC=C3)N=C1Cl

InChI

InChI=1S/C13H12ClN4O/c1-17-12(19)10-11(16-13(17)14)15-8-18(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/q+1