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

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

CCC[N+]1(CCN(C(C1)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=O)N(C(=O)N3C)C)C(=O)C4=CC=NC=C4

Isomeric SMILES

CCC[N+]1(CCN(C(C1)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=O)N(C(=O)N3C)C)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C25H30N7O5/c1-4-13-32(24(34)18-8-10-26-11-9-18)14-12-30(22-16-23(33)29(3)25(35)28(22)2)21(17-32)27-19-6-5-7-20(15-19)31(36)37/h5-11,15-16,21,27H,4,12-14,17H2,1-3H3/q+1