N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-methylsulfonylpropoxy)quinazolin-4-amine hydrochloride

Systemtic Name: N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-methylsulfonylpropoxy)quinazolin-4-amine hydrochloride Openeye Name: N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-methylsulfonylpropoxy)quinazolin-4-amine hydrochloride CAS Name: N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-methylsulfonylpropoxy)-4-quinazolinamine hydrochloride IUPAC Name: N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-methylsulfonylpropoxy)quinazolin-4-amine hydrochloride Traditional Name: 1,3-benzodioxol-4-yl-[7-(3-mesylpropoxy)-6-methoxy-quinazolin-4-yl]amine hydrochloride Formula: C20H22ClN3O6S MolecularWeight: 467.92318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C4C(=CC=C3)OCO4)OCCCS(=O)(=O)C.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C4C(=CC=C3)OCO4)OCCCS(=O)(=O)C.Cl

InChI

InChI=1S/C20H21N3O6S.ClH/c1-26-17-9-13-15(10-18(17)27-7-4-8-30(2,24)25)21-11-22-20(13)23-14-5-3-6-16-19(14)29-12-28-16;/h3,5-6,9-11H,4,7-8,12H2,1-2H3,(H,21,22,23);1H