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

Systemtic Name: ethyl 4-methyl-2-[2-[methyl-(phenylmethyl)amino]ethylsulfanyl]-6-(3-nitrophenyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-[benzyl(methyl)amino]ethylsulfanyl]-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylate CAS Name: 4-methyl-2-[2-[methyl-(phenylmethyl)amino]ethylthio]-6-(3-nitrophenyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[benzyl(methyl)amino]ethylsulfanyl]-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylate Traditional Name: 2-[2-[benzyl(methyl)amino]ethylthio]-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C24H26N4O4S MolecularWeight: 466.55264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)SCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)SCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H26N4O4S/c1-4-32-23(29)21-17(2)25-24(26-22(21)19-11-8-12-20(15-19)28(30)31)33-14-13-27(3)16-18-9-6-5-7-10-18/h5-12,15H,4,13-14,16H2,1-3H3