5-[(4-azanylquinazolin-2-yl)methylsulfanyl]-N-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(4-azanylquinazolin-2-yl)methylsulfanyl]-N-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-N-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(4-amino-2-quinazolinyl)methylthio]-N-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-N-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(4-aminoquinazolin-2-yl)methylthio]-1,3,4-thiadiazol-2-yl]-(2,3-dimethylphenyl)amine Formula: C19H18N6S2 MolecularWeight: 394.51642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NN=C(S2)SCC3=NC4=CC=CC=C4C(=N3)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NN=C(S2)SCC3=NC4=CC=CC=C4C(=N3)N)C

InChI

InChI=1S/C19H18N6S2/c1-11-6-5-9-14(12(11)2)22-18-24-25-19(27-18)26-10-16-21-15-8-4-3-7-13(15)17(20)23-16/h3-9H,10H2,1-2H3,(H,22,24)(H2,20,21,23)