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

Systemtic Name: 6-azanyl-3-methyl-5-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]-3-methyl-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]-3-methyl-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-(4-besylpiperazin-1-ium-1-yl)acetyl]-3-methyl-1-propyl-pyrimidine-2,4-quinone Formula: C20H28N5O5S+ MolecularWeight: 450.53182

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O5S/c1-3-9-25-18(21)17(19(27)22(2)20(25)28)16(26)14-23-10-12-24(13-11-23)31(29,30)15-7-5-4-6-8-15/h4-8H,3,9-14,21H2,1-2H3/p+1