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

Systemtic Name: 2-methyl-4-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 2-methyl-4-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine CAS Name: 2-methyl-4-[4-(4-methyl-3-nitrophenyl)sulfonyl-1-piperazinyl]-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 2-methyl-4-[4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine Traditional Name: 2-methyl-4-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazino]-6-pyrrolidino-pyrimidine Formula: C20H26N6O4S MolecularWeight: 446.52324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)N4CCCC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)N4CCCC4)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O4S/c1-15-5-6-17(13-18(15)26(27)28)31(29,30)25-11-9-24(10-12-25)20-14-19(21-16(2)22-20)23-7-3-4-8-23/h5-6,13-14H,3-4,7-12H2,1-2H3