4-[4-(4-methyl-3,5-dinitro-phenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(4-methyl-3,5-dinitro-phenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-[4-(4-methyl-3,5-dinitro-phenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-[4-(4-methyl-3,5-dinitrophenyl)sulfonyl-1-piperazinyl]-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-[4-(4-methyl-3,5-dinitro-phenyl)sulfonylpiperazino]-6-pyrrolidino-pyrimidine Formula: C19H23N7O6S MolecularWeight: 477.49422

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N7O6S/c1-14-16(25(27)28)10-15(11-17(14)26(29)30)33(31,32)24-8-6-23(7-9-24)19-12-18(20-13-21-19)22-4-2-3-5-22/h10-13H,2-9H2,1H3