1-(2-chloranyl-5-nitro-phenyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[(4,6-dimethyl-2-pyrimidinyl)amino]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]thiourea Formula: C13H13ClN6O2S MolecularWeight: 352.79932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)NNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C13H13ClN6O2S/c1-7-5-8(2)16-12(15-7)18-19-13(23)17-11-6-9(20(21)22)3-4-10(11)14/h3-6H,1-2H3,(H,15,16,18)(H2,17,19,23)