1,3-dimethyl-6-[4-[2-(3-nitrophenoxy)propyl]-4-pyrimidin-2-ylcarbonyl-piperazin-4-ium-1-yl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[4-[2-(3-nitrophenoxy)propyl]-4-pyrimidin-2-ylcarbonyl-piperazin-4-ium-1-yl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[4-[2-(3-nitrophenoxy)propyl]-4-(pyrimidine-2-carbonyl)piperazin-4-ium-1-yl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[4-[2-(3-nitrophenoxy)propyl]-4-[oxo(2-pyrimidinyl)methyl]-1-piperazin-4-iumyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[4-[2-(3-nitrophenoxy)propyl]-4-(pyrimidine-2-carbonyl)piperazin-4-ium-1-yl]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[4-[2-(3-nitrophenoxy)propyl]-4-(pyrimidine-2-carbonyl)piperazin-4-ium-1-yl]pyrimidine-2,4-quinone Formula: C24H28N7O6+ MolecularWeight: 510.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+]1(CCN(CC1)C2=CC(=O)N(C(=O)N2C)C)C(=O)C3=NC=CC=N3)OC4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C[N+]1(CCN(CC1)C2=CC(=O)N(C(=O)N2C)C)C(=O)C3=NC=CC=N3)OC4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H28N7O6/c1-17(37-19-7-4-6-18(14-19)30(35)36)16-31(23(33)22-25-8-5-9-26-22)12-10-29(11-13-31)20-15-21(32)28(3)24(34)27(20)2/h4-9,14-15,17H,10-13,16H2,1-3H3/q+1