4-oxidanylidene-6-phenyl-2-(spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmethylsulfanyl)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 4-oxidanylidene-6-phenyl-2-(spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmethylsulfanyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-6-phenyl-2-(spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmethylsulfanyl)-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-6-phenyl-2-(1-spiro[4H-isoquinoline-3,1'-cyclopentane]ylmethylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-oxo-6-phenyl-2-(spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmethylsulfanyl)-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-phenyl-2-(spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmethylthio)-1H-pyrimidine-5-carbonitrile Formula: C25H22N4OS MolecularWeight: 426.53338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)