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

Systemtic Name: 5,6-dimethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propylthio]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[3-[4-(2-pyrimidyl)piperazino]propylthio]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H24N6OS2 MolecularWeight: 416.56346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)SCCCN3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)SCCCN3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C19H24N6OS2/c1-13-14(2)28-17-15(13)16(26)22-19(23-17)27-12-4-7-24-8-10-25(11-9-24)18-20-5-3-6-21-18/h3,5-6H,4,7-12H2,1-2H3,(H,22,23,26)