1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-4-phenylsulfanyl-butan-1-one

Systemtic Name: 1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-4-phenylsulfanyl-butan-1-one Openeye Name: 1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-4-phenylsulfanyl-butan-1-one CAS Name: 1-[4-(6-ethyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]-4-(phenylthio)-1-butanone IUPAC Name: 1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-4-phenylsulfanylbutan-1-one Traditional Name: 1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazino]-4-(phenylthio)butan-1-one Formula: C22H26N4OS2 MolecularWeight: 426.59804

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C(=O)CCCSC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C(=O)CCCSC4=CC=CC=C4

InChI

InChI=1S/C22H26N4OS2/c1-2-17-15-19-21(23-16-24-22(19)29-17)26-12-10-25(11-13-26)20(27)9-6-14-28-18-7-4-3-5-8-18/h3-5,7-8,15-16H,2,6,9-14H2,1H3