sodium 1-[4-[(6-oxidanylidene-3-phenyl-2,5-dihydro-1,2-oxazin-5-yl)sulfanyl]quinazolin-2-yl]heptadecane-1-sulfonate

Systemtic Name: sodium 1-[4-[(6-oxidanylidene-3-phenyl-2,5-dihydro-1,2-oxazin-5-yl)sulfanyl]quinazolin-2-yl]heptadecane-1-sulfonate Openeye Name: sodium 1-[4-[(6-oxo-3-phenyl-2,5-dihydrooxazin-5-yl)sulfanyl]quinazolin-2-yl]heptadecane-1-sulfonate CAS Name: sodium 1-[4-[(6-oxo-3-phenyl-2,5-dihydrooxazin-5-yl)thio]-2-quinazolinyl]-1-heptadecanesulfonate IUPAC Name: sodium 1-[4-[(6-oxo-3-phenyl-2,5-dihydrooxazin-5-yl)sulfanyl]quinazolin-2-yl]heptadecane-1-sulfonate Traditional Name: sodium 1-[4-[(6-keto-3-phenyl-2,5-dihydrooxazin-5-yl)thio]quinazolin-2-yl]heptadecane-1-sulfonate Formula: C35H46N3NaO5S2 MolecularWeight: 675.87661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=NC2=CC=CC=C2C(=N1)SC3C=C(NOC3=O)C4=CC=CC=C4)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=NC2=CC=CC=C2C(=N1)SC3C=C(NOC3=O)C4=CC=CC=C4)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C35H47N3O5S2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-32(45(40,41)42)33-36-29-24-20-19-23-28(29)34(37-33)44-31-26-30(38-43-35(31)39)27-21-16-15-17-22-27;/h15-17,19-24,26,31-32,38H,2-14,18,25H2,1H3,(H,40,41,42);/q;+1/p-1