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

Systemtic Name: 3,7-dimethyl-1-[2-oxidanylidene-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[2-oxo-2-[4-(2-thienylsulfonyl)piperazin-1-yl]ethyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[2-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[2-oxo-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]purine-2,6-dione Traditional Name: 1-[2-keto-2-[4-(2-thienylsulfonyl)piperazino]ethyl]-3,7-dimethyl-xanthine Formula: C17H20N6O5S2 MolecularWeight: 452.5079

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C17H20N6O5S2/c1-19-11-18-15-14(19)16(25)23(17(26)20(15)2)10-12(24)21-5-7-22(8-6-21)30(27,28)13-4-3-9-29-13/h3-4,9,11H,5-8,10H2,1-2H3