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

Systemtic Name: 2-[[5-[(4-azanylquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[5-[(4-amino-2-quinazolinyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[5-[(4-aminoquinazolin-2-yl)methylthio]-1,3,4-thiadiazol-2-yl]thio]methyl]quinazolin-4-yl]amine Formula: C20H16N8S3 MolecularWeight: 464.58964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NN=C(S3)SCC4=NC5=CC=CC=C5C(=N4)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NN=C(S3)SCC4=NC5=CC=CC=C5C(=N4)N)N

InChI

InChI=1S/C20H16N8S3/c21-17-11-5-1-3-7-13(11)23-15(25-17)9-29-19-27-28-20(31-19)30-10-16-24-14-8-4-2-6-12(14)18(22)26-16/h1-8H,9-10H2,(H2,21,23,25)(H2,22,24,26)