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

Systemtic Name: sodium 1-(3-azanyl-4-oxidanylidene-quinazolin-2-yl)heptadecane-1-sulfonate Openeye Name: sodium 1-(3-amino-4-oxo-quinazolin-2-yl)heptadecane-1-sulfonate CAS Name: sodium 1-(3-amino-4-oxo-2-quinazolinyl)-1-heptadecanesulfonate IUPAC Name: sodium 1-(3-amino-4-oxoquinazolin-2-yl)heptadecane-1-sulfonate Traditional Name: sodium 1-(3-amino-4-keto-quinazolin-2-yl)heptadecane-1-sulfonate Formula: C25H40N3NaO4S MolecularWeight: 501.65757

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41N3O4S.Na/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);/q;+1/p-1