1,3-dimethyl-7-[4-oxidanylidene-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[4-oxidanylidene-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[4-oxo-4-[4-(2-thienylsulfonyl)piperazin-1-yl]butyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[4-oxo-4-(4-thiophen-2-ylsulfonyl-1-piperazinyl)butyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[4-oxo-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butyl]purine-2,6-dione Traditional Name: 7-[4-keto-4-[4-(2-thienylsulfonyl)piperazino]butyl]-1,3-dimethyl-xanthine Formula: C19H24N6O5S2 MolecularWeight: 480.56106

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H24N6O5S2/c1-21-17-16(18(27)22(2)19(21)28)24(13-20-17)7-3-5-14(26)23-8-10-25(11-9-23)32(29,30)15-6-4-12-31-15/h4,6,12-13H,3,5,7-11H2,1-2H3