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

Systemtic Name: 3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(4-benzylpiperazino)-2-keto-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)C=C(S4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)C=C(S4)C5=CC=CC=C5

InChI

InChI=1S/C25H24N4O2S/c30-23(28-13-11-27(12-14-28)16-19-7-3-1-4-8-19)17-29-18-26-24-21(25(29)31)15-22(32-24)20-9-5-2-6-10-20/h1-10,15,18H,11-14,16-17H2