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

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl-(2-chloranyl-6,7,8-trimethoxy-4H-quinazolin-3-yl)amino]ethanol Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl-(2-chloro-6,7,8-trimethoxy-4H-quinazolin-3-yl)amino]ethanol CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-(2-chloro-6,7,8-trimethoxy-4H-quinazolin-3-yl)amino]ethanol IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl-(2-chloro-6,7,8-trimethoxy-4H-quinazolin-3-yl)amino]ethanol Traditional Name: 2-[(2-chloro-6,7,8-trimethoxy-4H-quinazolin-3-yl)-piperonyl-amino]ethanol Formula: C21H24ClN3O6 MolecularWeight: 449.88476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O6/c1-27-17-9-14-11-25(21(22)23-18(14)20(29-3)19(17)28-2)24(6-7-26)10-13-4-5-15-16(8-13)31-12-30-15/h4-5,8-9,26H,6-7,10-12H2,1-3H3