1,3-dimethyl-9-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-9-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-9-[[4-(2-thienylmethyl)piperazin-1-yl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-9-[[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-9-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-9-[[4-(2-thenyl)piperazino]methyl]xanthine Formula: C17H22N6O2S MolecularWeight: 374.46058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2CN3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2CN3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C17H22N6O2S/c1-19-15-14(16(24)20(2)17(19)25)18-11-23(15)12-22-7-5-21(6-8-22)10-13-4-3-9-26-13/h3-4,9,11H,5-8,10,12H2,1-2H3