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

Systemtic Name: 1-[3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)sulfonylphenyl]ethanone Openeye Name: 1-[3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-(4-thieno[3,2-d]pyrimidinyl)-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)sulfonylphenyl]ethanone Traditional Name: 1-[3-(4-thieno[3,2-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(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC=NC4=C3SC=C4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC=NC4=C3SC=C4

InChI

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