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

Systemtic Name: 4-methyl-6-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]-2-propan-2-yl-pyrimidine Openeye Name: 2-isopropyl-4-methyl-6-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]pyrimidine CAS Name: 4-methyl-6-[4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1-piperazinyl]-2-propan-2-ylpyrimidine IUPAC Name: 4-methyl-6-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-yl]-2-propan-2-ylpyrimidine Traditional Name: 2-isopropyl-4-methyl-6-[4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperazino]pyrimidine Formula: C22H30N6O4S MolecularWeight: 474.5764

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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)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H30N6O4S/c1-16(2)22-23-17(3)14-21(24-22)26-12-10-25(11-13-26)19-7-6-18(15-20(19)28(29)30)33(31,32)27-8-4-5-9-27/h6-7,14-16H,4-5,8-13H2,1-3H3