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

Systemtic Name: 3-azanyl-5,6-dimethyl-2-[3-(4-pyrimidin-4-ylpiperazin-1-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-amino-5,6-dimethyl-2-[3-(4-pyrimidin-4-ylpiperazin-1-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-amino-5,6-dimethyl-2-[3-[4-(4-pyrimidinyl)-1-piperazinyl]propylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-amino-5,6-dimethyl-2-[3-(4-pyrimidin-4-ylpiperazin-1-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-amino-5,6-dimethyl-2-[3-[4-(4-pyrimidyl)piperazino]propylthio]thieno[2,3-d]pyrimidin-4-one Formula: C19H25N7OS2 MolecularWeight: 431.5781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N7OS2/c1-13-14(2)29-17-16(13)18(27)26(20)19(23-17)28-11-3-6-24-7-9-25(10-8-24)15-4-5-21-12-22-15/h4-5,12H,3,6-11,20H2,1-2H3