4,6-dimethyl-N-phenyl-pyrimidin-2-amine; 1-oxidanidyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium

Systemtic Name: 4,6-dimethyl-N-phenyl-pyrimidin-2-amine; 1-oxidanidyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium Openeye Name: 4,6-dimethyl-N-phenyl-pyrimidin-2-amine; 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium CAS Name: 4,6-dimethyl-N-phenyl-2-pyrimidinamine; 1-oxido-2-[(1-oxido-2-pyridin-1-iumyl)disulfanyl]pyridin-1-ium IUPAC Name: 4,6-dimethyl-N-phenylpyrimidin-2-amine; 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium Traditional Name: (4,6-dimethylpyrimidin-2-yl)-phenyl-amine; 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium Formula: C22H21N5O2S2 MolecularWeight: 451.56444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC=CC=C2)C.C1=CC=[N+](C(=C1)SSC2=CC=CC=[N+]2[O-])[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=CC=C2)C.C1=CC=[N+](C(=C1)SSC2=CC=CC=[N+]2[O-])[O-]

InChI

InChI=1S/C12H13N3.C10H8N2O2S2/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11;13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14/h3-8H,1-2H3,(H,13,14,15);1-8H