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

Systemtic Name: 4-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-yl-pyrimidine Openeye Name: 2-isopropyl-4-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-6-methyl-pyrimidine CAS Name: 4-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-6-methyl-2-propan-2-ylpyrimidine IUPAC Name: 4-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine Traditional Name: 2-isopropyl-4-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]-6-methyl-pyrimidine Formula: C19H25N5O5S MolecularWeight: 435.4973

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O5S/c1-13(2)19-20-14(3)11-18(21-19)22-7-9-23(10-8-22)30(27,28)15-5-6-17(29-4)16(12-15)24(25)26/h5-6,11-13H,7-10H2,1-4H3