4-[4-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-3-nitro-phenyl]sulfonylmorpholine Formula: C22H30N6O5S MolecularWeight: 490.5758

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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)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H30N6O5S/c1-16(2)22-23-17(3)14-21(24-22)26-8-6-25(7-9-26)19-5-4-18(15-20(19)28(29)30)34(31,32)27-10-12-33-13-11-27/h4-5,14-16H,6-13H2,1-3H3