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

Systemtic Name: 3-azanyl-6-ethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-amino-6-ethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-amino-6-ethyl-2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-amino-6-ethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-amino-6-ethyl-2-[3-[4-(2-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:

CCC1=CC2=C(S1)N=C(N(C2=O)N)SCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)N)SCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H25N7OS2/c1-2-14-13-15-16(29-14)23-19(26(20)17(15)27)28-12-4-7-24-8-10-25(11-9-24)18-21-5-3-6-22-18/h3,5-6,13H,2,4,7-12,20H2,1H3