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

Systemtic Name: sodium 1-[4-(5-azanyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]heptadecane-1-sulfonate Openeye Name: sodium 1-[4-(5-amino-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]heptadecane-1-sulfonate CAS Name: sodium 1-[4-(5-amino-1,3,4-thiadiazol-2-yl)-2-quinazolinyl]-1-heptadecanesulfonate IUPAC Name: sodium 1-[4-(5-amino-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]heptadecane-1-sulfonate Traditional Name: sodium 1-[4-(5-amino-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]heptadecane-1-sulfonate Formula: C27H40N5NaO3S2 MolecularWeight: 569.75797

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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-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=NC2=CC=CC=C2C(=N1)C3=NN=C(S3)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C27H41N5O3S2.Na/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);/q;+1/p-1