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

Systemtic Name: 1,3-dimethyl-6-[4-[3-(4-nitro-2-prop-2-enoxy-phenoxy)propyl]piperazin-1-yl]pyrimidine-2,4-dione Openeye Name: 6-[4-[3-(2-allyloxy-4-nitro-phenoxy)propyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[4-[3-(4-nitro-2-prop-2-enoxyphenoxy)propyl]-1-piperazinyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[4-[3-(4-nitro-2-prop-2-enoxyphenoxy)propyl]piperazin-1-yl]pyrimidine-2,4-dione Traditional Name: 6-[4-[3-(2-allyloxy-4-nitro-phenoxy)propyl]piperazino]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C22H29N5O6 MolecularWeight: 459.49556

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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)[N+](=O)[O-])OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O6/c1-4-13-32-19-15-17(27(30)31)6-7-18(19)33-14-5-8-25-9-11-26(12-10-25)20-16-21(28)24(3)22(29)23(20)2/h4,6-7,15-16H,1,5,8-14H2,2-3H3