(5R,5aS)-8,8-dimethyl-2-propan-2-ylsulfanyl-5-pyridin-3-yl-5,5a,7,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: (5R,5aS)-8,8-dimethyl-2-propan-2-ylsulfanyl-5-pyridin-3-yl-5,5a,7,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Openeye Name: (5R,5aS)-2-isopropylsulfanyl-8,8-dimethyl-5-(3-pyridyl)-5,5a,7,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione CAS Name: (5R,5aS)-8,8-dimethyl-2-(propan-2-ylthio)-5-(3-pyridinyl)-5,5a,7,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: (5R,5aS)-8,8-dimethyl-2-propan-2-ylsulfanyl-5-pyridin-3-yl-5,5a,7,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Traditional Name: (5R,5aS)-2-(isopropylthio)-8,8-dimethyl-5-(3-pyridyl)-5,5a,7,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-quinone Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-11(2)28-20-24-18-17(19(27)25-20)15(12-6-5-7-22-10-12)16-13(23-18)8-21(3,4)9-14(16)26/h5-8,10-11,15-16H,9H2,1-4H3,(H2,23,24,25,27)/t15-,16-/m0/s1