8-bromanyl-2-(2-propoxyphenyl)-1H-quinazolin-4-one; morpholine-4-sulfinic acid

Systemtic Name: 8-bromanyl-2-(2-propoxyphenyl)-1H-quinazolin-4-one; morpholine-4-sulfinic acid Openeye Name: 8-bromo-2-(2-propoxyphenyl)-1H-quinazolin-4-one; morpholine-4-sulfinic acid CAS Name: 8-bromo-2-(2-propoxyphenyl)-1H-quinazolin-4-one; 4-morpholinesulfinic acid IUPAC Name: 8-bromo-2-(2-propoxyphenyl)-1H-quinazolin-4-one; morpholine-4-sulfinic acid Traditional Name: 8-bromo-2-(2-propoxyphenyl)-1H-quinazolin-4-one; morpholine-4-sulfinic acid Formula: C21H24BrN3O5S MolecularWeight: 510.40136

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)C(=CC=C3)Br.C1COCCN1S(=O)O

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)C(=CC=C3)Br.C1COCCN1S(=O)O

InChI

InChI=1S/C17H15BrN2O2.C4H9NO3S/c1-2-10-22-14-9-4-3-6-11(14)16-19-15-12(17(21)20-16)7-5-8-13(15)18;6-9(7)5-1-3-8-4-2-5/h3-9H,2,10H2,1H3,(H,19,20,21);1-4H2,(H,6,7)