2-[1,3-benzodioxol-5-ylmethyl-(2-chloranyl-6,7,8-trimethoxy-quinazolin-4-yl)amino]ethanol

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl-(2-chloranyl-6,7,8-trimethoxy-quinazolin-4-yl)amino]ethanol Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl-(2-chloro-6,7,8-trimethoxy-quinazolin-4-yl)amino]ethanol CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-(2-chloro-6,7,8-trimethoxy-4-quinazolinyl)amino]ethanol IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl-(2-chloro-6,7,8-trimethoxyquinazolin-4-yl)amino]ethanol Traditional Name: 2-[(2-chloro-6,7,8-trimethoxy-quinazolin-4-yl)-piperonyl-amino]ethanol Formula: C21H22ClN3O6 MolecularWeight: 447.86888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C(=NC(=N2)Cl)N(CCO)CC3=CC4=C(C=C3)OCO4)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C(=NC(=N2)Cl)N(CCO)CC3=CC4=C(C=C3)OCO4)OC)OC

InChI

InChI=1S/C21H22ClN3O6/c1-27-16-9-13-17(19(29-3)18(16)28-2)23-21(22)24-20(13)25(6-7-26)10-12-4-5-14-15(8-12)31-11-30-14/h4-5,8-9,26H,6-7,10-11H2,1-3H3