1-(3-azanyl-4-oxidanylidene-quinazolin-2-yl)heptadecane-1-sulfonate

Systemtic Name: 1-(3-azanyl-4-oxidanylidene-quinazolin-2-yl)heptadecane-1-sulfonate Openeye Name: 1-(3-amino-4-oxo-quinazolin-2-yl)heptadecane-1-sulfonate CAS Name: 1-(3-amino-4-oxo-2-quinazolinyl)-1-heptadecanesulfonate IUPAC Name: 1-(3-amino-4-oxoquinazolin-2-yl)heptadecane-1-sulfonate Traditional Name: 1-(3-amino-4-keto-quinazolin-2-yl)heptadecane-1-sulfonate Formula: C25H40N3O4S- MolecularWeight: 478.6678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=NC2=CC=CC=C2C(=O)N1N)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=NC2=CC=CC=C2C(=O)N1N)S(=O)(=O)[O-]

InChI

InChI=1S/C25H41N3O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-23(33(30,31)32)24-27-22-19-17-16-18-21(22)25(29)28(24)26/h16-19,23H,2-15,20,26H2,1H3,(H,30,31,32)/p-1