6-azanyl-1-phenyl-2-(spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmethylsulfanyl)pyrimidin-4-one

Systemtic Name: 6-azanyl-1-phenyl-2-(spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmethylsulfanyl)pyrimidin-4-one Openeye Name: 6-amino-1-phenyl-2-(spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmethylsulfanyl)pyrimidin-4-one CAS Name: 6-amino-1-phenyl-2-(1-spiro[4H-isoquinoline-3,1'-cyclopentane]ylmethylthio)-4-pyrimidinone IUPAC Name: 6-amino-1-phenyl-2-(spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmethylsulfanyl)pyrimidin-4-one Traditional Name: 6-amino-1-phenyl-2-(spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmethylthio)pyrimidin-4-one Formula: C24H24N4OS MolecularWeight: 416.53856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)CC3=CC=CC=C3C(=N2)CSC4=NC(=O)C=C(N4C5=CC=CC=C5)N

Isomeric SMILES

C1CCC2(C1)CC3=CC=CC=C3C(=N2)CSC4=NC(=O)C=C(N4C5=CC=CC=C5)N

InChI

InChI=1S/C24H24N4OS/c25-21-14-22(29)26-23(28(21)18-9-2-1-3-10-18)30-16-20-19-11-5-4-8-17(19)15-24(27-20)12-6-7-13-24/h1-5,8-11,14H,6-7,12-13,15-16,25H2