N-(2-dimethylaminoethyl)-4-methyl-6-(2-methylsulfanyl-5-nitro-phenyl)-2-phenyl-pyrimidine-5-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-methyl-6-(2-methylsulfanyl-5-nitro-phenyl)-2-phenyl-pyrimidine-5-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-4-methyl-6-(2-methylsulfanyl-5-nitro-phenyl)-2-phenyl-pyrimidine-5-carboxamide CAS Name: N-(2-dimethylaminoethyl)-4-methyl-6-[2-(methylthio)-5-nitrophenyl]-2-phenyl-5-pyrimidinecarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-4-methyl-6-(2-methylsulfanyl-5-nitrophenyl)-2-phenylpyrimidine-5-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-4-methyl-6-[2-(methylthio)-5-nitro-phenyl]-2-phenyl-pyrimidine-5-carboxamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)NCCN(C)C)C2=C(C=CC(=C2)[N+](=O)[O-])SC)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)NCCN(C)C)C2=C(C=CC(=C2)[N+](=O)[O-])SC)C3=CC=CC=C3

InChI

InChI=1S/C23H25N5O3S/c1-15-20(23(29)24-12-13-27(2)3)21(26-22(25-15)16-8-6-5-7-9-16)18-14-17(28(30)31)10-11-19(18)32-4/h5-11,14H,12-13H2,1-4H3,(H,24,29)