1,3-dimethyl-6-[2-[4-nitro-2-(phenylcarbonyl)phenyl]sulfanylethyl]-5-piperazin-1-yl-pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[2-[4-nitro-2-(phenylcarbonyl)phenyl]sulfanylethyl]-5-piperazin-1-yl-pyrimidine-2,4-dione Openeye Name: 6-[2-(2-benzoyl-4-nitro-phenyl)sulfanylethyl]-1,3-dimethyl-5-piperazin-1-yl-pyrimidine-2,4-dione CAS Name: 6-[2-[(2-benzoyl-4-nitrophenyl)thio]ethyl]-1,3-dimethyl-5-(1-piperazinyl)pyrimidine-2,4-dione IUPAC Name: 6-[2-(2-benzoyl-4-nitrophenyl)sulfanylethyl]-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione Traditional Name: 6-[2-[(2-benzoyl-4-nitro-phenyl)thio]ethyl]-1,3-dimethyl-5-piperazino-pyrimidine-2,4-quinone Formula: C25H27N5O5S MolecularWeight: 509.57738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)N2CCNCC2)CCSC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)N2CCNCC2)CCSC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H27N5O5S/c1-27-20(22(24(32)28(2)25(27)33)29-13-11-26-12-14-29)10-15-36-21-9-8-18(30(34)35)16-19(21)23(31)17-6-4-3-5-7-17/h3-9,16,26H,10-15H2,1-2H3