2-methylsulfanyl-5-thiophen-2-yl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: 2-methylsulfanyl-5-thiophen-2-yl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 2-methylsulfanyl-5-(2-thienyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: 2-(methylthio)-5-thiophen-2-yl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 2-methylsulfanyl-5-thiophen-2-yl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 2-(methylthio)-5-(2-thienyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C16H15N3O2S2 MolecularWeight: 345.4392

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC=CS4)C(=O)CCC3

Isomeric SMILES

CSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC=CS4)C(=O)CCC3

InChI

InChI=1S/C16H15N3O2S2/c1-22-16-18-14-13(15(21)19-16)12(10-6-3-7-23-10)11-8(17-14)4-2-5-9(11)20/h3,6-7,12H,2,4-5H2,1H3,(H2,17,18,19,21)