2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-1,3-diium-4,6-diamine

Systemtic Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-1,3-diium-4,6-diamine Openeye Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-1,3-diium-4,6-diamine CAS Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]pyrimidine-1,3-diium-4,6-diamine IUPAC Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-1,3-diium-4,6-diamine Traditional Name: [6-amino-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]pyrimidine-1,3-diium-4-yl]amine Formula: C13H14N6OS+2 MolecularWeight: 302.35486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N6OS/c14-9-6-10(15)17-13(16-9)21-7-11-18-12(19-20-11)8-4-2-1-3-5-8/h1-6H,7H2,(H4,14,15,16,17)/p+2