2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-N-(2-methyl-5-nitro-phenyl)pyrimidin-4-amine

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-N-(2-methyl-5-nitro-phenyl)pyrimidin-4-amine Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-N-(2-methyl-5-nitro-phenyl)pyrimidin-4-amine CAS Name: 2-[(4-chlorophenyl)methylthio]-6-methyl-N-(2-methyl-5-nitrophenyl)-4-pyrimidinamine IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-N-(2-methyl-5-nitrophenyl)pyrimidin-4-amine Traditional Name: [2-[(4-chlorobenzyl)thio]-6-methyl-pyrimidin-4-yl]-(2-methyl-5-nitro-phenyl)amine Formula: C19H17ClN4O2S MolecularWeight: 400.88188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=NC(=NC(=C2)C)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=NC(=NC(=C2)C)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H17ClN4O2S/c1-12-3-8-16(24(25)26)10-17(12)22-18-9-13(2)21-19(23-18)27-11-14-4-6-15(20)7-5-14/h3-10H,11H2,1-2H3,(H,21,22,23)