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

Systemtic Name: 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylthio]pyrimidin-4-yl]amine Formula: C13H11ClN6OS MolecularWeight: 334.78404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NOC(=N2)CSC3=NC(=CC(=N3)N)N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NOC(=N2)CSC3=NC(=CC(=N3)N)N)Cl

InChI

InChI=1S/C13H11ClN6OS/c14-8-4-2-1-3-7(8)12-19-11(21-20-12)6-22-13-17-9(15)5-10(16)18-13/h1-5H,6H2,(H4,15,16,17,18)