8-chloranyl-1,3-dimethyl-7-(phenylmethyl)-9H-purin-7-ium-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-(phenylmethyl)-9H-purin-7-ium-2,6-dione Openeye Name: 7-benzyl-8-chloro-1,3-dimethyl-9H-purin-7-ium-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-(phenylmethyl)-9H-purin-7-ium-2,6-dione IUPAC Name: 7-benzyl-8-chloro-1,3-dimethyl-9H-purin-7-ium-2,6-dione Traditional Name: 7-benzyl-8-chloro-1,3-dimethyl-9H-purin-7-ium-2,6-quinone Formula: C14H14ClN4O2+ MolecularWeight: 305.73956

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+](=C(N2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+](=C(N2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C14H13ClN4O2/c1-17-11-10(12(20)18(2)14(17)21)19(13(15)16-11)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/p+1