(5R,5aS)-8,8-dimethyl-5-phenyl-2-propan-2-ylsulfanyl-5,5a,7,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: (5R,5aS)-8,8-dimethyl-5-phenyl-2-propan-2-ylsulfanyl-5,5a,7,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Openeye Name: (5R,5aS)-2-isopropylsulfanyl-8,8-dimethyl-5-phenyl-5,5a,7,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione CAS Name: (5R,5aS)-8,8-dimethyl-5-phenyl-2-(propan-2-ylthio)-5,5a,7,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: (5R,5aS)-8,8-dimethyl-5-phenyl-2-propan-2-ylsulfanyl-5,5a,7,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Traditional Name: (5R,5aS)-2-(isopropylthio)-8,8-dimethyl-5-phenyl-5,5a,7,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-quinone Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC(=O)C2=C(N1)NC3=CC(CC(=O)C3C2C4=CC=CC=C4)(C)C

Isomeric SMILES

CC(C)SC1=NC(=O)C2=C(N1)NC3=CC(CC(=O)[C@H]3[C@@H]2C4=CC=CC=C4)(C)C

InChI

InChI=1S/C22H25N3O2S/c1-12(2)28-21-24-19-18(20(27)25-21)16(13-8-6-5-7-9-13)17-14(23-19)10-22(3,4)11-15(17)26/h5-10,12,16-17H,11H2,1-4H3,(H2,23,24,25,27)/t16-,17-/m0/s1