5-(furan-2-yl)-2-[[(2-piperidin-1-ylphenyl)amino]methyl]-4aH-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(furan-2-yl)-2-[[(2-piperidin-1-ylphenyl)amino]methyl]-4aH-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2-furyl)-2-[[2-(1-piperidyl)anilino]methyl]-4aH-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-furanyl)-2-[[2-(1-piperidinyl)anilino]methyl]-4aH-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(furan-2-yl)-2-[(2-piperidin-1-ylanilino)methyl]-4aH-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2-furyl)-2-[(2-piperidinoanilino)methyl]-4aH-thieno[2,3-d]pyrimidin-4-one Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=CC=C2NCC3=NC(=O)C4C(=CSC4=N3)C5=CC=CO5

Isomeric SMILES

C1CCN(CC1)C2=CC=CC=C2NCC3=NC(=O)C4C(=CSC4=N3)C5=CC=CO5

InChI

InChI=1S/C22H22N4O2S/c27-21-20-15(18-9-6-12-28-18)14-29-22(20)25-19(24-21)13-23-16-7-2-3-8-17(16)26-10-4-1-5-11-26/h2-3,6-9,12,14,20,23H,1,4-5,10-11,13H2