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

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

CCC[N+]1(CCN(C(C1)OC2=CC=CC(=C2)[N+](=O)[O-])C3=CC(=O)N(C(=O)N3C)C)C(=O)C4=NC=CC=N4

Isomeric SMILES

CCC[N+]1(CCN(C(C1)OC2=CC=CC(=C2)[N+](=O)[O-])C3=CC(=O)N(C(=O)N3C)C)C(=O)C4=NC=CC=N4

InChI

InChI=1S/C24H28N7O6/c1-4-12-31(23(33)22-25-9-6-10-26-22)13-11-29(19-15-20(32)28(3)24(34)27(19)2)21(16-31)37-18-8-5-7-17(14-18)30(35)36/h5-10,14-15,21H,4,11-13,16H2,1-3H3/q+1