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

Systemtic Name: 4-methyl-6-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-yl]-2-propan-2-yl-pyrimidine Openeye Name: 2-isopropyl-4-methyl-6-[4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazin-1-yl]pyrimidine CAS Name: 4-methyl-6-[4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1-piperazinyl]-2-propan-2-ylpyrimidine IUPAC Name: 4-methyl-6-[4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]-2-propan-2-ylpyrimidine Traditional Name: 2-isopropyl-4-methyl-6-[4-(2-nitro-4-piperidinosulfonyl-phenyl)piperazino]pyrimidine Formula: C23H32N6O4S MolecularWeight: 488.60298

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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)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H32N6O4S/c1-17(2)23-24-18(3)15-22(25-23)27-13-11-26(12-14-27)20-8-7-19(16-21(20)29(30)31)34(32,33)28-9-5-4-6-10-28/h7-8,15-17H,4-6,9-14H2,1-3H3