1,3-dimethyl-6-[4-[3-(4-nitrophenyl)sulfanylpropyl]piperazin-1-yl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[4-[3-(4-nitrophenyl)sulfanylpropyl]piperazin-1-yl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[4-[3-(4-nitrophenyl)sulfanylpropyl]piperazin-1-yl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[4-[3-[(4-nitrophenyl)thio]propyl]-1-piperazinyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[4-[3-(4-nitrophenyl)sulfanylpropyl]piperazin-1-yl]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[4-[3-[(4-nitrophenyl)thio]propyl]piperazino]pyrimidine-2,4-quinone Formula: C19H25N5O4S MolecularWeight: 419.4979

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O4S/c1-20-17(14-18(25)21(2)19(20)26)23-11-9-22(10-12-23)8-3-13-29-16-6-4-15(5-7-16)24(27)28/h4-7,14H,3,8-13H2,1-2H3