4-[(5-bromanyl-1,3-benzodioxol-4-yl)oxy]-6-methoxy-7-(3-methylsulfonylpropoxy)quinazoline

Systemtic Name: 4-[(5-bromanyl-1,3-benzodioxol-4-yl)oxy]-6-methoxy-7-(3-methylsulfonylpropoxy)quinazoline Openeye Name: 4-[(5-bromo-1,3-benzodioxol-4-yl)oxy]-6-methoxy-7-(3-methylsulfonylpropoxy)quinazoline CAS Name: 4-[(5-bromo-1,3-benzodioxol-4-yl)oxy]-6-methoxy-7-(3-methylsulfonylpropoxy)quinazoline IUPAC Name: 4-[(5-bromo-1,3-benzodioxol-4-yl)oxy]-6-methoxy-7-(3-methylsulfonylpropoxy)quinazoline Traditional Name: 4-[(5-bromo-1,3-benzodioxol-4-yl)oxy]-7-(3-mesylpropoxy)-6-methoxy-quinazoline Formula: C20H19BrN2O7S MolecularWeight: 511.34306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=C(C=CC4=C3OCO4)Br)OCCCS(=O)(=O)C

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=C(C=CC4=C3OCO4)Br)OCCCS(=O)(=O)C

InChI

InChI=1S/C20H19BrN2O7S/c1-26-16-8-12-14(9-17(16)27-6-3-7-31(2,24)25)22-10-23-20(12)30-18-13(21)4-5-15-19(18)29-11-28-15/h4-5,8-10H,3,6-7,11H2,1-2H3