S-phenyl (E)-3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-enethioate

Systemtic Name: S-phenyl (E)-3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-enethioate Openeye Name: S-phenyl (E)-3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-enethioate CAS Name: (E)-3-[4-(6-ethyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]-2-propenethioic acid S-phenyl ester IUPAC Name: S-phenyl (E)-3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-enethioate Traditional Name: (E)-3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazino]prop-2-enethioic acid S-phenyl ester Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4OS2/c1-2-16-14-18-20(22-15-23-21(18)28-16)25-12-10-24(11-13-25)9-8-19(26)27-17-6-4-3-5-7-17/h3-9,14-15H,2,10-13H2,1H3/b9-8+