6-[4-[4-(2-ethanoyl-4-nitro-phenoxy)butyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-[4-[4-(2-ethanoyl-4-nitro-phenoxy)butyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[4-[4-(2-acetyl-4-nitro-phenoxy)butyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[4-[4-(2-acetyl-4-nitrophenoxy)butyl]-1-piperazinyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[4-[4-(2-acetyl-4-nitrophenoxy)butyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[4-[4-(2-acetyl-4-nitro-phenoxy)butyl]piperazino]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C22H29N5O6 MolecularWeight: 459.49556

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OCCCCN2CCN(CC2)C3=CC(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OCCCCN2CCN(CC2)C3=CC(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H29N5O6/c1-16(28)18-14-17(27(31)32)6-7-19(18)33-13-5-4-8-25-9-11-26(12-10-25)20-15-21(29)24(3)22(30)23(20)2/h6-7,14-15H,4-5,8-13H2,1-3H3