2-[3-(6-chloranyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-5-methyl-phenyl]guanidine

Systemtic Name: 2-[3-(6-chloranyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-5-methyl-phenyl]guanidine Openeye Name: 2-[3-(6-chloro-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-5-methyl-phenyl]guanidine CAS Name: 2-[3-[[6-chloro-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-5-methylphenyl]guanidine IUPAC Name: 2-[3-(6-chloro-2-methylsulfanyl-5-nitropyrimidin-4-yl)oxy-5-methylphenyl]guanidine Traditional Name: 2-[3-[6-chloro-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-5-methyl-phenyl]guanidine Formula: C13H13ClN6O3S MolecularWeight: 368.79872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(C(=NC(=N2)SC)Cl)[N+](=O)[O-])N=C(N)N

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(C(=NC(=N2)SC)Cl)[N+](=O)[O-])N=C(N)N

InChI

InChI=1S/C13H13ClN6O3S/c1-6-3-7(17-12(15)16)5-8(4-6)23-11-9(20(21)22)10(14)18-13(19-11)24-2/h3-5H,1-2H3,(H4,15,16,17)