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

Systemtic Name: 2-[3-(6-chloranyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxyphenyl]guanidine Openeye Name: 2-[3-(6-chloro-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxyphenyl]guanidine CAS Name: 2-[3-[[6-chloro-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]phenyl]guanidine IUPAC Name: 2-[3-(6-chloro-2-methylsulfanyl-5-nitropyrimidin-4-yl)oxyphenyl]guanidine Traditional Name: 2-[3-[6-chloro-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxyphenyl]guanidine Formula: C12H11ClN6O3S MolecularWeight: 354.77214

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)Cl)[N+](=O)[O-])OC2=CC=CC(=C2)N=C(N)N

Isomeric SMILES

CSC1=NC(=C(C(=N1)Cl)[N+](=O)[O-])OC2=CC=CC(=C2)N=C(N)N

InChI

InChI=1S/C12H11ClN6O3S/c1-23-12-17-9(13)8(19(20)21)10(18-12)22-7-4-2-3-6(5-7)16-11(14)15/h2-5H,1H3,(H4,14,15,16)