1-[4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)sulfonylphenyl]ethanone

Systemtic Name: 1-[4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)sulfonylphenyl]ethanone Openeye Name: 1-[4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-(4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)sulfonylphenyl]ethanone Traditional Name: 1-[4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazino)sulfonylphenyl]ethanone Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C=CSC4=NC=N3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C=CSC4=NC=N3

InChI

InChI=1S/C18H18N4O3S2/c1-13(23)14-2-4-15(5-3-14)27(24,25)22-9-7-21(8-10-22)17-16-6-11-26-18(16)20-12-19-17/h2-6,11-12H,7-10H2,1H3