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

Systemtic Name: 6-methyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-1H-pyrimidine-2,4-dione Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-6-methyl-1H-pyrimidine-2,4-dione CAS Name: 6-methyl-5-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-1H-pyrimidine-2,4-dione IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-6-methyl-1H-pyrimidine-2,4-dione Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-6-methyl-uracil Formula: C16H21N4O4S+ MolecularWeight: 365.42734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C16H20N4O4S/c1-12-14(15(21)18-16(22)17-12)25(23,24)20-9-7-19(8-10-20)11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H2,17,18,21,22)/p+1