1,3-dimethyl-8-piperazin-1-yl-7-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-piperazin-1-yl-7-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-8-piperazin-1-yl-7-[[4-(thiadiazol-4-yl)phenyl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-(1-piperazinyl)-7-[[4-(4-thiadiazolyl)phenyl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-piperazin-1-yl-7-[[4-(thiadiazol-4-yl)phenyl]methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-8-piperazino-7-[4-(thiadiazol-4-yl)benzyl]xanthine Formula: C20H22N8O2S MolecularWeight: 438.50608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC4=CC=C(C=C4)C5=CSN=N5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC4=CC=C(C=C4)C5=CSN=N5

InChI

InChI=1S/C20H22N8O2S/c1-25-17-16(18(29)26(2)20(25)30)28(19(22-17)27-9-7-21-8-10-27)11-13-3-5-14(6-4-13)15-12-31-24-23-15/h3-6,12,21H,7-11H2,1-2H3