N-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-2-(4-methoxybutoxy)quinazolin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-2-(4-methoxybutoxy)quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-(4-methoxybutoxy)quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-(4-methoxybutoxy)-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-(4-methoxybutoxy)quinazolin-4-amine Traditional Name: [6-chloro-2-(4-methoxybutoxy)quinazolin-4-yl]-piperonyl-amine Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCOC1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COCCCCOC1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22ClN3O4/c1-26-8-2-3-9-27-21-24-17-6-5-15(22)11-16(17)20(25-21)23-12-14-4-7-18-19(10-14)29-13-28-18/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H,23,24,25)