6-di(piperidin-1-yl)phosphinothioyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-di(piperidin-1-yl)phosphinothioyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-[bis(1-piperidyl)phosphinothioyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-[bis(1-piperidinyl)phosphinothioyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-di(piperidin-1-yl)phosphinothioyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-dipiperidinothiophosphoryl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H27N4OPS2 MolecularWeight: 458.579741

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)P(=S)(C2=C(C3=C(S2)N=CNC3=O)C4=CC=CC=C4)N5CCCCC5

Isomeric SMILES

C1CCN(CC1)P(=S)(C2=C(C3=C(S2)N=CNC3=O)C4=CC=CC=C4)N5CCCCC5

InChI

InChI=1S/C22H27N4OPS2/c27-20-19-18(17-10-4-1-5-11-17)22(30-21(19)24-16-23-20)28(29,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1,4-5,10-11,16H,2-3,6-9,12-15H2,(H,23,24,27)