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

Systemtic Name: 4-[(6-bromanyl-1,3-benzodioxol-4-yl)oxy]-6-methoxy-7-(3-methylsulfonylpropoxy)quinazoline Openeye Name: 4-[(6-bromo-1,3-benzodioxol-4-yl)oxy]-6-methoxy-7-(3-methylsulfonylpropoxy)quinazoline CAS Name: 4-[(6-bromo-1,3-benzodioxol-4-yl)oxy]-6-methoxy-7-(3-methylsulfonylpropoxy)quinazoline IUPAC Name: 4-[(6-bromo-1,3-benzodioxol-4-yl)oxy]-6-methoxy-7-(3-methylsulfonylpropoxy)quinazoline Traditional Name: 4-[(6-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=C4C(=CC(=C3)Br)OCO4)OCCCS(=O)(=O)C

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=C4C(=CC(=C3)Br)OCO4)OCCCS(=O)(=O)C

InChI

InChI=1S/C20H19BrN2O7S/c1-26-15-8-13-14(9-16(15)27-4-3-5-31(2,24)25)22-10-23-20(13)30-18-7-12(21)6-17-19(18)29-11-28-17/h6-10H,3-5,11H2,1-2H3