(5R,5aS)-2-butylsulfanyl-5-pyridin-4-yl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: (5R,5aS)-2-butylsulfanyl-5-pyridin-4-yl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: (5R,5aS)-2-butylsulfanyl-5-(4-pyridyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: (5R,5aS)-2-(butylthio)-5-pyridin-4-yl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: (5R,5aS)-2-butylsulfanyl-5-pyridin-4-yl-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: (5R,5aS)-2-(butylthio)-5-(4-pyridyl)-1,5,5a,7,8,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C2=C(N1)NC3=CCCC(=O)C3C2C4=CC=NC=C4

Isomeric SMILES

CCCCSC1=NC(=O)C2=C(N1)NC3=CCCC(=O)[C@H]3[C@@H]2C4=CC=NC=C4

InChI

InChI=1S/C20H22N4O2S/c1-2-3-11-27-20-23-18-17(19(26)24-20)15(12-7-9-21-10-8-12)16-13(22-18)5-4-6-14(16)25/h5,7-10,15-16H,2-4,6,11H2,1H3,(H2,22,23,24,26)/t15-,16-/m0/s1