7-(1-benzothiophen-3-yl)-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-(1-benzothiophen-3-yl)-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(benzothiophen-3-yl)-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-(1-benzothiophen-3-yl)-1,3-dimethyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(1-benzothiophen-3-yl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(benzothiophen-3-yl)-1,3-dimethyl-8-piperazino-xanthine Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C4=CSC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C19H20N6O2S/c1-22-16-15(17(26)23(2)19(22)27)25(18(21-16)24-9-7-20-8-10-24)13-11-28-14-6-4-3-5-12(13)14/h3-6,11,20H,7-10H2,1-2H3