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

Systemtic Name: 5-anthracen-9-yl-2-methylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 5-(9-anthryl)-2-methylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: 5-(9-anthracenyl)-2-(methylthio)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 5-anthracen-9-yl-2-methylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 5-(9-anthryl)-2-(methylthio)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=C(N1)NC3=C(C2C4=C5C=CC=CC5=CC6=CC=CC=C64)C(=O)CCC3

Isomeric SMILES

CSC1=NC(=O)C2=C(N1)NC3=C(C2C4=C5C=CC=CC5=CC6=CC=CC=C64)C(=O)CCC3

InChI

InChI=1S/C26H21N3O2S/c1-32-26-28-24-23(25(31)29-26)22(21-18(27-24)11-6-12-19(21)30)20-16-9-4-2-7-14(16)13-15-8-3-5-10-17(15)20/h2-5,7-10,13,22H,6,11-12H2,1H3,(H2,27,28,29,31)