2-[4-oxidanylidene-2-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]methyl]-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile

Systemtic Name: 2-[4-oxidanylidene-2-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]methyl]-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[4-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]methyl]-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[4-oxo-2-[[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]methyl]-5-phenyl-3-thieno[2,3-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[4-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-5-phenylthieno[2,3-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[4-(2-keto-2-pyrrolidino-ethyl)piperazino]methyl]-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]acetonitrile Formula: C25H28N6O2S MolecularWeight: 476.59382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCN(CC2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3CC#N

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3CC#N

InChI

InChI=1S/C25H28N6O2S/c26-8-11-31-21(16-28-12-14-29(15-13-28)17-22(32)30-9-4-5-10-30)27-24-23(25(31)33)20(18-34-24)19-6-2-1-3-7-19/h1-3,6-7,18H,4-5,9-17H2