2-methylsulfanyl-5-(2-nitrophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: 2-methylsulfanyl-5-(2-nitrophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 2-methylsulfanyl-5-(2-nitrophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: 2-(methylthio)-5-(2-nitrophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 2-methylsulfanyl-5-(2-nitrophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 2-(methylthio)-5-(2-nitrophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC=CC=C4[N+](=O)[O-])C(=O)CCC3

Isomeric SMILES

CSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC=CC=C4[N+](=O)[O-])C(=O)CCC3

InChI

InChI=1S/C18H16N4O4S/c1-27-18-20-16-15(17(24)21-18)13(9-5-2-3-7-11(9)22(25)26)14-10(19-16)6-4-8-12(14)23/h2-3,5,7,13H,4,6,8H2,1H3,(H2,19,20,21,24)