6-azanyl-5-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]-3-methyl-1-propyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]-3-methyl-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]-3-methyl-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]-3-methyl-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]-3-methyl-1-propyl-pyrimidine-2,4-quinone Formula: C20H27FN5O5S+ MolecularWeight: 468.522283

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)N

InChI

InChI=1S/C20H26FN5O5S/c1-3-7-26-18(22)17(19(28)23(2)20(26)29)16(27)13-24-8-10-25(11-9-24)32(30,31)15-6-4-5-14(21)12-15/h4-6,12H,3,7-11,13,22H2,1-2H3/p+1