phenyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanesulfonate

Systemtic Name: phenyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanesulfonate Openeye Name: phenyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanesulfonate CAS Name: 2-[[4-(ethylamino)-2-quinazolinyl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanesulfonate Traditional Name: 2-[[4-(ethylamino)quinazolin-2-yl]thio]ethanesulfonic acid phenyl ester Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O3S2/c1-2-19-17-15-10-6-7-11-16(15)20-18(21-17)25-12-13-26(22,23)24-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,19,20,21)