1,3-dimethyl-6-[4-[2-[(3-nitrophenyl)amino]propyl]-4-pyridin-4-ylcarbonyl-piperazin-4-ium-1-yl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[4-[2-[(3-nitrophenyl)amino]propyl]-4-pyridin-4-ylcarbonyl-piperazin-4-ium-1-yl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[4-[2-(3-nitroanilino)propyl]-4-(pyridine-4-carbonyl)piperazin-4-ium-1-yl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[4-[2-(3-nitroanilino)propyl]-4-[oxo(pyridin-4-yl)methyl]-1-piperazin-4-iumyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[4-[2-(3-nitroanilino)propyl]-4-(pyridine-4-carbonyl)piperazin-4-ium-1-yl]pyrimidine-2,4-dione Traditional Name: 6-[4-isonicotinoyl-4-[2-(3-nitroanilino)propyl]piperazin-4-ium-1-yl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C25H30N7O5+ MolecularWeight: 508.5496

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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=CC=NC=C3)NC4=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=CC=NC=C3)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H30N7O5/c1-18(27-20-5-4-6-21(15-20)31(36)37)17-32(24(34)19-7-9-26-10-8-19)13-11-30(12-14-32)22-16-23(33)29(3)25(35)28(22)2/h4-10,15-16,18,27H,11-14,17H2,1-3H3/q+1