2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-3-ium-3-yl]-6-methyl-benzenecarboximidamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-3-ium-3-yl]-6-methyl-benzenecarboximidamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-3-ium-3-yl)-6-methyl-benzamidine CAS Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-3-ium-3-yl)-6-methylbenzenecarboximidamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-3-ium-3-yl)-6-methylbenzenecarboximidamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-9H-purin-3-ium-3-yl)-6-methyl-benzamidine Formula: C15H17N6O2+ MolecularWeight: 313.33448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+]2(C3=C(C(=O)N(C2=O)C)N=CN3)C)C(=N)N

Isomeric SMILES

CC1=C(C(=CC=C1)[N+]2(C3=C(C(=O)N(C2=O)C)N=CN3)C)C(=N)N

InChI

InChI=1S/C15H16N6O2/c1-8-5-4-6-9(10(8)12(16)17)21(3)13-11(18-7-19-13)14(22)20(2)15(21)23/h4-7H,1-3H3,(H3-,16,17,18,19,22)/p+1