1-[4-(5-azanyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]heptadecane-1-sulfonic acid

Systemtic Name: 1-[4-(5-azanyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]heptadecane-1-sulfonic acid Openeye Name: 1-[4-(5-amino-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]heptadecane-1-sulfonic acid CAS Name: 1-[4-(5-amino-1,3,4-thiadiazol-2-yl)-2-quinazolinyl]-1-heptadecanesulfonic acid IUPAC Name: 1-[4-(5-amino-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]heptadecane-1-sulfonic acid Traditional Name: 1-[4-(5-amino-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]heptadecane-1-sulfonic acid Formula: C27H41N5O3S2 MolecularWeight: 547.77614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=NC2=CC=CC=C2C(=N1)C3=NN=C(S3)N)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=NC2=CC=CC=C2C(=N1)C3=NN=C(S3)N)S(=O)(=O)O

InChI

InChI=1S/C27H41N5O3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-23(37(33,34)35)25-29-22-19-17-16-18-21(22)24(30-25)26-31-32-27(28)36-26/h16-19,23H,2-15,20H2,1H3,(H2,28,32)(H,33,34,35)