4-[4,6-bis(oxidanylidene)-2-propan-2-ylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-5-yl]benzenecarbonitrile

Systemtic Name: 4-[4,6-bis(oxidanylidene)-2-propan-2-ylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-5-yl]benzenecarbonitrile Openeye Name: 4-(2-isopropylsulfanyl-4,6-dioxo-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-5-yl)benzonitrile CAS Name: 4-[4,6-dioxo-2-(propan-2-ylthio)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-5-yl]benzonitrile IUPAC Name: 4-(4,6-dioxo-2-propan-2-ylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-5-yl)benzonitrile Traditional Name: 4-[2-(isopropylthio)-4,6-diketo-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-5-yl]benzonitrile Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2S/c1-11(2)28-21-24-19-18(20(27)25-21)16(13-8-6-12(10-22)7-9-13)17-14(23-19)4-3-5-15(17)26/h6-9,11,16H,3-5H2,1-2H3,(H2,23,24,25,27)