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

Systemtic Name: 2-[1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethylthio]pyrimidin-4-yl]amine Formula: C14H13N7O3S MolecularWeight: 359.36312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])SC3=NC(=CC(=N3)N)N

Isomeric SMILES

CC(C1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])SC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C14H13N7O3S/c1-7(25-14-17-10(15)6-11(16)18-14)12-19-20-13(24-12)8-2-4-9(5-3-8)21(22)23/h2-7H,1H3,(H4,15,16,17,18)