2-[[5-[(4-azanylquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-[(4-azanylquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide CAS Name: 2-[[5-[(4-amino-2-quinazolinyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: 2-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[(4-aminoquinazolin-2-yl)methylthio]-1,3,4-thiadiazol-2-yl]thio]acetamide Formula: C13H12N6OS3 MolecularWeight: 364.46898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NN=C(S3)SCC(=O)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NN=C(S3)SCC(=O)N)N

InChI

InChI=1S/C13H12N6OS3/c14-9(20)5-21-12-18-19-13(23-12)22-6-10-16-8-4-2-1-3-7(8)11(15)17-10/h1-4H,5-6H2,(H2,14,20)(H2,15,16,17)