3-azanylidene-5,6-dimethyl-isoindole-1,4,7-triamine benzoate

Systemtic Name: 3-azanylidene-5,6-dimethyl-isoindole-1,4,7-triamine benzoate Openeye Name: 3-imino-5,6-dimethyl-isoindole-1,4,7-triamine benzoate CAS Name: 3-imino-5,6-dimethylisoindole-1,4,7-triamine benzoate IUPAC Name: 3-imino-5,6-dimethylisoindole-1,4,7-triamine benzoate Traditional Name: (1,7-diamino-3-imino-5,6-dimethyl-isoindol-4-yl)amine benzoate Formula: C17H18N5O2- MolecularWeight: 324.35712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C1C)N)C(=N)N=C2N)N.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC1=C(C2=C(C(=C1C)N)C(=N)N=C2N)N.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C10H13N5.C7H6O2/c1-3-4(2)8(12)6-5(7(3)11)9(13)15-10(6)14;8-7(9)6-4-2-1-3-5-6/h11-12H2,1-2H3,(H3,13,14,15);1-5H,(H,8,9)/p-1