[4-methyl-6-(2-nitrophenyl)sulfanyl-2-phenyl-pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [4-methyl-6-(2-nitrophenyl)sulfanyl-2-phenyl-pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [4-methyl-6-(2-nitrophenyl)sulfanyl-2-phenyl-pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [4-methyl-6-[(2-nitrophenyl)thio]-2-phenyl-5-pyrimidinyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [4-methyl-6-(2-nitrophenyl)sulfanyl-2-phenylpyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [4-methyl-6-[(2-nitrophenyl)thio]-2-phenyl-pyrimidin-5-yl]-(4-methylpiperazino)methanone Formula: C23H23N5O3S MolecularWeight: 449.52542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SC3=CC=CC=C3[N+](=O)[O-])C(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SC3=CC=CC=C3[N+](=O)[O-])C(=O)N4CCN(CC4)C

InChI

InChI=1S/C23H23N5O3S/c1-16-20(23(29)27-14-12-26(2)13-15-27)22(25-21(24-16)17-8-4-3-5-9-17)32-19-11-7-6-10-18(19)28(30)31/h3-11H,12-15H2,1-2H3