2-[4,6-bis(azanyl)pyrimidin-1-ium-2-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-1-ium-2-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-(4,6-diaminopyrimidin-1-ium-2-yl)sulfanyl-1-phenyl-ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidin-1-iumyl)thio]-1-phenylethanone IUPAC Name: 2-(4,6-diaminopyrimidin-1-ium-2-yl)sulfanyl-1-phenylethanone Traditional Name: 2-[(4,6-diaminopyrimidin-1-ium-2-yl)thio]-1-phenyl-ethanone Formula: C12H13N4OS+ MolecularWeight: 261.32282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC(=CC(=[NH+]2)N)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC(=CC(=[NH+]2)N)N

InChI

InChI=1S/C12H12N4OS/c13-10-6-11(14)16-12(15-10)18-7-9(17)8-4-2-1-3-5-8/h1-6H,7H2,(H4,13,14,15,16)/p+1