2-methylsulfanyl-5-thiophen-3-yl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: 2-methylsulfanyl-5-thiophen-3-yl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 2-methylsulfanyl-5-(3-thienyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: 2-(methylthio)-5-(3-thiophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 2-methylsulfanyl-5-thiophen-3-yl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 2-(methylthio)-5-(3-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=CSC=C4)C(=O)CCC3

Isomeric SMILES

CSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CSC=C4)C(=O)CCC3

InChI

InChI=1S/C16H15N3O2S2/c1-22-16-18-14-13(15(21)19-16)11(8-5-6-23-7-8)12-9(17-14)3-2-4-10(12)20/h5-7,11H,2-4H2,1H3,(H2,17,18,19,21)