1,3-dimethyl-7-[2-(3-oxidanylidenepiperazin-1-yl)sulfonylethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(3-oxidanylidenepiperazin-1-yl)sulfonylethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(3-oxopiperazin-1-yl)sulfonylethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[(3-oxo-1-piperazinyl)sulfonyl]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(3-oxopiperazin-1-yl)sulfonylethyl]purine-2,6-dione Traditional Name: 7-[2-(3-ketopiperazino)sulfonylethyl]-1,3-dimethyl-xanthine Formula: C13H18N6O5S MolecularWeight: 370.38422

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCS(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCS(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C13H18N6O5S/c1-16-11-10(12(21)17(2)13(16)22)18(8-15-11)5-6-25(23,24)19-4-3-14-9(20)7-19/h8H,3-7H2,1-2H3,(H,14,20)