2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-quinazolin-4-amine

Systemtic Name: 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-quinazolin-4-amine Openeye Name: 2-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methylsulfanyl]-N-methyl-quinazolin-4-amine CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-4-thiazolyl]methylthio]-N-methyl-4-quinazolinamine IUPAC Name: 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methylquinazolin-4-amine Traditional Name: [2-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methylthio]quinazolin-4-yl]-methyl-amine Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=CC=CC=C21)SCC3=CSC(=N3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CNC1=NC(=NC2=CC=CC=C21)SCC3=CSC(=N3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H20N4O2S2/c1-22-19-15-6-4-5-7-16(15)24-21(25-19)29-12-14-11-28-20(23-14)13-8-9-17(26-2)18(10-13)27-3/h4-11H,12H2,1-3H3,(H,22,24,25)