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

Systemtic Name: 5,6-dimethyl-2-[3-(4-pyrimidin-4-ylpiperazin-1-yl)propylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[3-(4-pyrimidin-4-ylpiperazin-1-yl)propylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[3-[4-(4-pyrimidinyl)-1-piperazinyl]propylthio]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[3-(4-pyrimidin-4-ylpiperazin-1-yl)propylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[3-[4-(4-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=NC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C19H24N6OS2/c1-13-14(2)28-18-16(13)17(26)22-19(23-18)27-11-3-6-24-7-9-25(10-8-24)15-4-5-20-12-21-15/h4-5,12H,3,6-11H2,1-2H3,(H,22,23,26)