1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazinyl]-2-(4-thieno[3,2-d]pyrimidinylthio)ethanone IUPAC Name: 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 1-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazino]-2-(thieno[3,2-d]pyrimidin-4-ylthio)ethanone Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCN(CC2)C(=O)CSC3=NC=NC4=C3SC=C4)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCN(CC2)C(=O)CSC3=NC=NC4=C3SC=C4)OC)OC

InChI

InChI=1S/C22H26N4O3S2/c1-15-10-18(28-2)19(29-3)11-16(15)12-25-5-7-26(8-6-25)20(27)13-31-22-21-17(4-9-30-21)23-14-24-22/h4,9-11,14H,5-8,12-13H2,1-3H3