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

Systemtic Name: 6-azanyl-1,3-dimethyl-5-[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1,3-dimethyl-5-[2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1,3-dimethyl-5-[1-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]ethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1,3-dimethyl-5-[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1,3-dimethyl-5-[2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-quinone Formula: C20H26N5O5S+ MolecularWeight: 448.51594

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)N

InChI

InChI=1S/C20H25N5O5S/c1-22-18(21)17(19(27)23(2)20(22)28)16(26)14-24-9-11-25(12-10-24)31(29,30)13-8-15-6-4-3-5-7-15/h3-8,13H,9-12,14,21H2,1-2H3/p+1/b13-8+