1,3-dimethyl-6-[4-[3-[(2-nitro-4-propanoyl-phenyl)amino]propyl]piperazin-1-yl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[4-[3-[(2-nitro-4-propanoyl-phenyl)amino]propyl]piperazin-1-yl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[4-[3-(2-nitro-4-propanoyl-anilino)propyl]piperazin-1-yl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[4-[3-[2-nitro-4-(1-oxopropyl)anilino]propyl]-1-piperazinyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[4-[3-(2-nitro-4-propanoylanilino)propyl]piperazin-1-yl]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[4-[3-(2-nitro-4-propionyl-anilino)propyl]piperazino]pyrimidine-2,4-quinone Formula: C22H30N6O5 MolecularWeight: 458.5108

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C=C1)NCCCN2CCN(CC2)C3=CC(=O)N(C(=O)N3C)C)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)C1=CC(=C(C=C1)NCCCN2CCN(CC2)C3=CC(=O)N(C(=O)N3C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H30N6O5/c1-4-19(29)16-6-7-17(18(14-16)28(32)33)23-8-5-9-26-10-12-27(13-11-26)20-15-21(30)25(3)22(31)24(20)2/h6-7,14-15,23H,4-5,8-13H2,1-3H3