5-(3-chlorophenyl)-2-propan-2-ylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: 5-(3-chlorophenyl)-2-propan-2-ylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 5-(3-chlorophenyl)-2-isopropylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: 5-(3-chlorophenyl)-2-(propan-2-ylthio)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 5-(3-chlorophenyl)-2-propan-2-ylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 5-(3-chlorophenyl)-2-(isopropylthio)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC(=CC=C4)Cl)C(=O)CCC3

Isomeric SMILES

CC(C)SC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC(=CC=C4)Cl)C(=O)CCC3

InChI

InChI=1S/C20H20ClN3O2S/c1-10(2)27-20-23-18-17(19(26)24-20)15(11-5-3-6-12(21)9-11)16-13(22-18)7-4-8-14(16)25/h3,5-6,9-10,15H,4,7-8H2,1-2H3,(H2,22,23,24,26)