3-[3-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[3-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[3-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[3-[4-(3-acetylphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[3-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[3-[4-(3-acetylphenyl)sulfonylpiperazino]-3-keto-propyl]thieno[2,3-d]pyrimidin-4-one Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C21H22N4O5S2/c1-15(26)16-3-2-4-17(13-16)32(29,30)25-10-8-23(9-11-25)19(27)5-7-24-14-22-20-18(21(24)28)6-12-31-20/h2-4,6,12-14H,5,7-11H2,1H3