4-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-yl-pyrimidine

Systemtic Name: 4-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-yl-pyrimidine Openeye Name: 4-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-2-isopropyl-6-methyl-pyrimidine CAS Name: 4-[4-(2,3-dimethyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-6-methyl-2-propan-2-ylpyrimidine IUPAC Name: 4-[4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine Traditional Name: 4-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazino]-2-isopropyl-6-methyl-pyrimidine Formula: C20H27N5O4S MolecularWeight: 433.52448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O4S/c1-13(2)20-21-15(4)11-19(22-20)23-6-8-24(9-7-23)30(28,29)18-12-17(25(26)27)10-14(3)16(18)5/h10-13H,6-9H2,1-5H3