4-[[7-(2-dimethylaminoethyloxy)-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[7-(2-dimethylaminoethyloxy)-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[7-(2-dimethylaminoethyloxy)-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile CAS Name: 4-[[7-(2-dimethylaminoethyloxy)-4-(1,3,4-thiadiazol-2-ylamino)-2-quinazolinyl]methyl]benzonitrile IUPAC Name: 4-[[7-(2-dimethylaminoethyloxy)-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile Traditional Name: 4-[[7-(2-dimethylaminoethyloxy)-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile Formula: C22H21N7OS MolecularWeight: 431.51344

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CC2=C(C=C1)C(=NC(=N2)CC3=CC=C(C=C3)C#N)NC4=NN=CS4

Isomeric SMILES

CN(C)CCOC1=CC2=C(C=C1)C(=NC(=N2)CC3=CC=C(C=C3)C#N)NC4=NN=CS4

InChI

InChI=1S/C22H21N7OS/c1-29(2)9-10-30-17-7-8-18-19(12-17)25-20(11-15-3-5-16(13-23)6-4-15)26-21(18)27-22-28-24-14-31-22/h3-8,12,14H,9-11H2,1-2H3,(H,25,26,27,28)