1-[(4-azanylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-[(E)-3-(6-chloranyl-1-benzothiophen-2-yl)prop-2-enyl]piperazin-2-one

Systemtic Name: 1-[(4-azanylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-[(E)-3-(6-chloranyl-1-benzothiophen-2-yl)prop-2-enyl]piperazin-2-one Openeye Name: 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-4-[(E)-3-(6-chlorobenzothiophen-2-yl)allyl]piperazin-2-one CAS Name: 1-[(4-amino-2-thieno[2,3-d]pyrimidinyl)methyl]-4-[(E)-3-(6-chloro-1-benzothiophen-2-yl)prop-2-enyl]-2-piperazinone IUPAC Name: 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-4-[(E)-3-(6-chloro-1-benzothiophen-2-yl)prop-2-enyl]piperazin-2-one Traditional Name: 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-4-[(E)-3-(6-chlorobenzothiophen-2-yl)allyl]piperazin-2-one Formula: C22H20ClN5OS2 MolecularWeight: 470.0101

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1CC=CC2=CC3=C(S2)C=C(C=C3)Cl)CC4=NC(=C5C=CSC5=N4)N

Isomeric SMILES

C1CN(C(=O)CN1C/C=C/C2=CC3=C(S2)C=C(C=C3)Cl)CC4=NC(=C5C=CSC5=N4)N

InChI

InChI=1S/C22H20ClN5OS2/c23-15-4-3-14-10-16(31-18(14)11-15)2-1-6-27-7-8-28(20(29)13-27)12-19-25-21(24)17-5-9-30-22(17)26-19/h1-5,9-11H,6-8,12-13H2,(H2,24,25,26)/b2-1+