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

Systemtic Name: 4-methyl-6-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-2-propan-2-yl-pyrimidine Openeye Name: 2-isopropyl-4-methyl-6-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]pyrimidine CAS Name: 4-methyl-6-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-2-propan-2-ylpyrimidine IUPAC Name: 4-methyl-6-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-2-propan-2-ylpyrimidine Traditional Name: 2-isopropyl-4-methyl-6-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]pyrimidine Formula: C19H25N5O4S MolecularWeight: 419.4979

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

InChI

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