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

Systemtic Name: (E)-1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-phenylsulfanyl-prop-2-en-1-one Openeye Name: (E)-1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-phenylsulfanyl-prop-2-en-1-one CAS Name: (E)-1-[4-(6-ethyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]-3-(phenylthio)-2-propen-1-one IUPAC Name: (E)-1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-phenylsulfanylprop-2-en-1-one Traditional Name: (E)-1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazino]-3-(phenylthio)prop-2-en-1-one Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C(=O)C=CSC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C(=O)/C=C/SC4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS2/c1-2-16-14-18-20(22-15-23-21(18)28-16)25-11-9-24(10-12-25)19(26)8-13-27-17-6-4-3-5-7-17/h3-8,13-15H,2,9-12H2,1H3/b13-8+