6-azanyl-5-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-amino-1,3-dimethyl-5-[2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)acetyl]pyrimidine-2,4-quinone Formula: C20H28N5O6S+ MolecularWeight: 466.53122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C3=C(N(C(=O)N(C3=O)C)C)N

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C3=C(N(C(=O)N(C3=O)C)C)N

InChI

InChI=1S/C20H27N5O6S/c1-4-31-14-5-7-15(8-6-14)32(29,30)25-11-9-24(10-12-25)13-16(26)17-18(21)22(2)20(28)23(3)19(17)27/h5-8H,4,9-13,21H2,1-3H3/p+1