3,5,6-trimethyl-2-[3-(4-pyrimidin-4-ylpiperazin-1-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3,5,6-trimethyl-2-[3-(4-pyrimidin-4-ylpiperazin-1-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3,5,6-trimethyl-2-[3-(4-pyrimidin-4-ylpiperazin-1-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3,5,6-trimethyl-2-[3-[4-(4-pyrimidinyl)-1-piperazinyl]propylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3,5,6-trimethyl-2-[3-(4-pyrimidin-4-ylpiperazin-1-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3,5,6-trimethyl-2-[3-[4-(4-pyrimidyl)piperazino]propylthio]thieno[2,3-d]pyrimidin-4-one Formula: C20H26N6OS2 MolecularWeight: 430.59004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCCCN3CCN(CC3)C4=NC=NC=C4)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCCCN3CCN(CC3)C4=NC=NC=C4)C)C

InChI

InChI=1S/C20H26N6OS2/c1-14-15(2)29-18-17(14)19(27)24(3)20(23-18)28-12-4-7-25-8-10-26(11-9-25)16-5-6-21-13-22-16/h5-6,13H,4,7-12H2,1-3H3