2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidin-1-ium-4,6-diamine

Systemtic Name: 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidin-1-ium-4,6-diamine Openeye Name: 2-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidin-1-ium-4,6-diamine CAS Name: 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]pyrimidin-1-ium-4,6-diamine IUPAC Name: 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidin-1-ium-4,6-diamine Traditional Name: [6-amino-2-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methylthio]pyrimidin-1-ium-4-yl]amine Formula: C14H15N6OS+ MolecularWeight: 315.3735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC(=CC(=[NH+]3)N)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC(=CC(=[NH+]3)N)N

InChI

InChI=1S/C14H14N6OS/c1-8-2-4-9(5-3-8)13-19-12(21-20-13)7-22-14-17-10(15)6-11(16)18-14/h2-6H,7H2,1H3,(H4,15,16,17,18)/p+1