4-methyl-6-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-propan-2-yl-pyrimidine

Systemtic Name: 4-methyl-6-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-propan-2-yl-pyrimidine Openeye Name: 2-isopropyl-4-methyl-6-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]pyrimidine CAS Name: 4-methyl-6-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-2-propan-2-ylpyrimidine IUPAC Name: 4-methyl-6-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-2-propan-2-ylpyrimidine Traditional Name: 2-isopropyl-4-[4-(4-mesyl-2-nitro-phenyl)piperazino]-6-methyl-pyrimidine Formula: C19H25N5O4S MolecularWeight: 419.4979

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O4S/c1-13(2)19-20-14(3)11-18(21-19)23-9-7-22(8-10-23)16-6-5-15(29(4,27)28)12-17(16)24(25)26/h5-6,11-13H,7-10H2,1-4H3