4-azanyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-1-ium-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-1-ium-5-carbonitrile Openeye Name: 4-amino-2-(o-tolylmethylsulfanyl)pyrimidin-1-ium-5-carbonitrile CAS Name: 4-amino-2-[(2-methylphenyl)methylthio]-5-pyrimidin-1-iumcarbonitrile IUPAC Name: 4-amino-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-1-ium-5-carbonitrile Traditional Name: 4-amino-2-[(2-methylbenzyl)thio]pyrimidin-1-ium-5-carbonitrile Formula: C13H13N4S+ MolecularWeight: 257.33412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=[NH+]C=C(C(=N2)N)C#N

Isomeric SMILES

CC1=CC=CC=C1CSC2=[NH+]C=C(C(=N2)N)C#N

InChI

InChI=1S/C13H12N4S/c1-9-4-2-3-5-10(9)8-18-13-16-7-11(6-14)12(15)17-13/h2-5,7H,8H2,1H3,(H2,15,16,17)/p+1