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

Systemtic Name: 6-azanyl-5-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-1-propyl-5-[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-1-propyl-5-[2-(4-tosylpiperazin-1-ium-1-yl)acetyl]pyrimidine-2,4-quinone Formula: C20H28N5O5S+ MolecularWeight: 450.53182

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)N

InChI

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