N-[(2-chloranyl-5-nitro-phenyl)methyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-methyl-propanamide

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-methyl-propanamide Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-methyl-propanamide CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-methylpropanamide IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-methylpropanamide Traditional Name: N-(2-chloro-5-nitro-benzyl)-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-methyl-propionamide Formula: C18H21ClN4O3S MolecularWeight: 408.90234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H21ClN4O3S/c1-11-15(12(2)21-18(20-11)27-4)6-8-17(24)22(3)10-13-9-14(23(25)26)5-7-16(13)19/h5,7,9H,6,8,10H2,1-4H3