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

Systemtic Name: 2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(3-p-cumenyl-1,2,4-oxadiazol-5-yl)methylthio]pyrimidin-4-yl]amine Formula: C16H18N6OS MolecularWeight: 342.41872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6OS/c1-9(2)10-3-5-11(6-4-10)15-21-14(23-22-15)8-24-16-19-12(17)7-13(18)20-16/h3-7,9H,8H2,1-2H3,(H4,17,18,19,20)