6-methyl-5-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]sulfonyl-1H-pyrimidine-2,4-dione

Systemtic Name: 6-methyl-5-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]sulfonyl-1H-pyrimidine-2,4-dione Openeye Name: 6-methyl-5-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]sulfonyl-1H-pyrimidine-2,4-dione CAS Name: 6-methyl-5-[[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]sulfonyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-methyl-5-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]sulfonyl-1H-pyrimidine-2,4-dione Traditional Name: 6-methyl-5-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]sulfonyl-uracil Formula: C16H22N5O4S+ MolecularWeight: 380.44198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3

Isomeric SMILES

CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3

InChI

InChI=1S/C16H21N5O4S/c1-12-14(15(22)19-16(23)18-12)26(24,25)21-10-8-20(9-11-21)7-4-13-2-5-17-6-3-13/h2-3,5-6H,4,7-11H2,1H3,(H2,18,19,22,23)/p+1