2-[methyl-(phenylmethyl)amino]ethyl 4-methyl-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidine-5-carboxylate

Systemtic Name: 2-[methyl-(phenylmethyl)amino]ethyl 4-methyl-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidine-5-carboxylate Openeye Name: 2-[benzyl(methyl)amino]ethyl 4-methyl-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidine-5-carboxylate CAS Name: 4-methyl-2-(methylthio)-6-(3-nitrophenyl)-5-pyrimidinecarboxylic acid 2-[methyl-(phenylmethyl)amino]ethyl ester IUPAC Name: 2-[benzyl(methyl)amino]ethyl 4-methyl-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidine-5-carboxylate Traditional Name: 4-methyl-2-(methylthio)-6-(3-nitrophenyl)pyrimidine-5-carboxylic acid 2-[benzyl(methyl)amino]ethyl ester Formula: C23H24N4O4S MolecularWeight: 452.52606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])SC

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])SC

InChI

InChI=1S/C23H24N4O4S/c1-16-20(22(28)31-13-12-26(2)15-17-8-5-4-6-9-17)21(25-23(24-16)32-3)18-10-7-11-19(14-18)27(29)30/h4-11,14H,12-13,15H2,1-3H3