benzoic acid; 2-(4,6-dimethylpyrimidin-2-yl)guanidine

Systemtic Name: benzoic acid; 2-(4,6-dimethylpyrimidin-2-yl)guanidine Openeye Name: benzoic acid; 2-(4,6-dimethylpyrimidin-2-yl)guanidine CAS Name: benzoic acid; 2-(4,6-dimethyl-2-pyrimidinyl)guanidine IUPAC Name: benzoic acid; 2-(4,6-dimethylpyrimidin-2-yl)guanidine Traditional Name: benzoic acid; 2-(4,6-dimethylpyrimidin-2-yl)guanidine Formula: C14H17N5O2 MolecularWeight: 287.31708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N=C(N)N)C.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC1=CC(=NC(=N1)N=C(N)N)C.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C7H11N5.C7H6O2/c1-4-3-5(2)11-7(10-4)12-6(8)9;8-7(9)6-4-2-1-3-5-6/h3H,1-2H3,(H4,8,9,10,11,12);1-5H,(H,8,9)