[4-(azaniumylmethyl)phenyl]methylsulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide

Systemtic Name: [4-(azaniumylmethyl)phenyl]methylsulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide Openeye Name: [4-(azaniumylmethyl)phenyl]methylsulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide CAS Name: [4-(ammoniomethyl)phenyl]methylsulfonyl-(4,6-dimethyl-2-pyrimidinyl)azanide IUPAC Name: [4-(azaniumylmethyl)phenyl]methylsulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide Traditional Name: [4-(ammoniomethyl)benzyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)[N-]S(=O)(=O)CC2=CC=C(C=C2)C[NH3+])C

Isomeric SMILES

CC1=CC(=NC(=N1)[N-]S(=O)(=O)CC2=CC=C(C=C2)C[NH3+])C

InChI

InChI=1S/C14H17N4O2S/c1-10-7-11(2)17-14(16-10)18-21(19,20)9-13-5-3-12(8-15)4-6-13/h3-7H,8-9,15H2,1-2H3/q-1/p+1