2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-ethyl-quinazolin-4-amine

Systemtic Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-ethyl-quinazolin-4-amine Openeye Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-ethyl-quinazolin-4-amine CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-N-ethyl-4-quinazolinamine IUPAC Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-ethylquinazolin-4-amine Traditional Name: [2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]quinazolin-4-yl]-ethyl-amine Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC3=NC(=NO3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC3=NC(=NO3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H21N5O3S/c1-4-22-20-14-7-5-6-8-15(14)23-21(25-20)30-12-18-24-19(26-29-18)13-9-10-16(27-2)17(11-13)28-3/h5-11H,4,12H2,1-3H3,(H,22,23,25)