5-cyano-6-phenyl-2-(spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 5-cyano-6-phenyl-2-(spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 5-cyano-6-phenyl-2-(spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmethylsulfanyl)pyrimidin-4-olate CAS Name: 5-cyano-6-phenyl-2-(1-spiro[4H-isoquinoline-3,1'-cyclopentane]ylmethylthio)-4-pyrimidinolate IUPAC Name: 5-cyano-6-phenyl-2-(spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmethylsulfanyl)pyrimidin-4-olate Traditional Name: 5-cyano-6-phenyl-2-(spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmethylthio)pyrimidin-4-olate Formula: C25H21N4OS- MolecularWeight: 425.52544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)CC3=CC=CC=C3C(=N2)CSC4=NC(=C(C(=N4)[O-])C#N)C5=CC=CC=C5

Isomeric SMILES

C1CCC2(C1)CC3=CC=CC=C3C(=N2)CSC4=NC(=C(C(=N4)[O-])C#N)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4OS/c26-15-20-22(17-8-2-1-3-9-17)27-24(28-23(20)30)31-16-21-19-11-5-4-10-18(19)14-25(29-21)12-6-7-13-25/h1-5,8-11H,6-7,12-14,16H2,(H,27,28,30)/p-1