1,3-dimethyl-7-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-[4-[(E)-styryl]sulfonylpiperazino]ethyl]-1,3-dimethyl-xanthine Formula: C21H24N6O5S MolecularWeight: 472.51746

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C21H24N6O5S/c1-23-19-18(20(29)24(2)21(23)30)26(15-22-19)14-17(28)25-9-11-27(12-10-25)33(31,32)13-8-16-6-4-3-5-7-16/h3-8,13,15H,9-12,14H2,1-2H3/b13-8+