3-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(4-benzoyl-1-piperazinyl)-2-oxoethyl]-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(4-benzoylpiperazino)-2-keto-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4O3S/c30-22(27-11-13-28(14-12-27)24(31)19-9-5-2-6-10-19)16-29-17-26-23-20(25(29)32)15-21(33-23)18-7-3-1-4-8-18/h1-10,15,17H,11-14,16H2