1-[4-oxidanylidene-2-(2-propoxyphenyl)-1H-quinazolin-8-yl]octan-3-yl methanesulfonate

Systemtic Name: 1-[4-oxidanylidene-2-(2-propoxyphenyl)-1H-quinazolin-8-yl]octan-3-yl methanesulfonate Openeye Name: 1-[2-[4-oxo-2-(2-propoxyphenyl)-1H-quinazolin-8-yl]ethyl]hexyl methanesulfonate CAS Name: methanesulfonic acid 1-[4-oxo-2-(2-propoxyphenyl)-1H-quinazolin-8-yl]octan-3-yl ester IUPAC Name: 1-[4-oxo-2-(2-propoxyphenyl)-1H-quinazolin-8-yl]octan-3-yl methanesulfonate Traditional Name: methanesulfonic acid 1-[2-[4-keto-2-(2-propoxyphenyl)-1H-quinazolin-8-yl]ethyl]hexyl ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC1=CC=CC2=C1NC(=NC2=O)C3=CC=CC=C3OCCC)OS(=O)(=O)C

Isomeric SMILES

CCCCCC(CCC1=CC=CC2=C1NC(=NC2=O)C3=CC=CC=C3OCCC)OS(=O)(=O)C

InChI

InChI=1S/C26H34N2O5S/c1-4-6-7-12-20(33-34(3,30)31)17-16-19-11-10-14-22-24(19)27-25(28-26(22)29)21-13-8-9-15-23(21)32-18-5-2/h8-11,13-15,20H,4-7,12,16-18H2,1-3H3,(H,27,28,29)