1,3-dimethyl-6-[4-[3-(4-methylsulfanyl-2-nitro-phenoxy)propyl]piperazin-1-yl]pyrimidine-2,4-dione hydrochloride

Systemtic Name: 1,3-dimethyl-6-[4-[3-(4-methylsulfanyl-2-nitro-phenoxy)propyl]piperazin-1-yl]pyrimidine-2,4-dione hydrochloride Openeye Name: 1,3-dimethyl-6-[4-[3-(4-methylsulfanyl-2-nitro-phenoxy)propyl]piperazin-1-yl]pyrimidine-2,4-dione hydrochloride CAS Name: 1,3-dimethyl-6-[4-[3-[4-(methylthio)-2-nitrophenoxy]propyl]-1-piperazinyl]pyrimidine-2,4-dione hydrochloride IUPAC Name: 1,3-dimethyl-6-[4-[3-(4-methylsulfanyl-2-nitrophenoxy)propyl]piperazin-1-yl]pyrimidine-2,4-dione hydrochloride Traditional Name: 1,3-dimethyl-6-[4-[3-[4-(methylthio)-2-nitro-phenoxy]propyl]piperazino]pyrimidine-2,4-quinone hydrochloride Formula: C20H28ClN5O5S MolecularWeight: 485.98482

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCOC3=C(C=C(C=C3)SC)[N+](=O)[O-].Cl

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCOC3=C(C=C(C=C3)SC)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H27N5O5S.ClH/c1-21-18(14-19(26)22(2)20(21)27)24-10-8-23(9-11-24)7-4-12-30-17-6-5-15(31-3)13-16(17)25(28)29;/h5-6,13-14H,4,7-12H2,1-3H3;1H