phenyl 2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanesulfonate

Systemtic Name: phenyl 2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanesulfonate Openeye Name: phenyl 2-(6-bromo-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylethanesulfonate CAS Name: 2-[[6-bromo-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[6-bromo-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylethanesulfonate Traditional Name: 2-[(6-bromo-3-isobutyl-4-keto-quinazolin-2-yl)thio]ethanesulfonic acid phenyl ester Formula: C20H21BrN2O4S2 MolecularWeight: 497.42574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H21BrN2O4S2/c1-14(2)13-23-19(24)17-12-15(21)8-9-18(17)22-20(23)28-10-11-29(25,26)27-16-6-4-3-5-7-16/h3-9,12,14H,10-11,13H2,1-2H3