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

Systemtic Name: 2-methylsulfanyl-5-(4-propan-2-ylphenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 5-(4-isopropylphenyl)-2-methylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: 2-(methylthio)-5-(4-propan-2-ylphenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 2-methylsulfanyl-5-(4-propan-2-ylphenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 2-(methylthio)-5-p-cumenyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SC

InChI

InChI=1S/C21H23N3O2S/c1-11(2)12-7-9-13(10-8-12)16-17-14(5-4-6-15(17)25)22-19-18(16)20(26)24-21(23-19)27-3/h7-11,16H,4-6H2,1-3H3,(H2,22,23,24,26)