N-(5-chloranyl-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine

Systemtic Name: N-(5-chloranyl-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine Openeye Name: N-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-pyrrolidin-1-ylethoxy)-5-tetrahydropyran-4-yloxy-quinazolin-4-amine CAS Name: N-(5-chloro-1,3-benzodioxol-4-yl)-5-(4-oxanyloxy)-7-[2-(1-pyrrolidinyl)ethoxy]-4-quinazolinamine IUPAC Name: N-(5-chloro-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine Traditional Name: (5-chloro-1,3-benzodioxol-4-yl)-[7-(2-pyrrolidinoethoxy)-5-tetrahydropyran-4-yloxy-quinazolin-4-yl]amine Formula: C26H29ClN4O5 MolecularWeight: 512.98526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC(=C3C(=C2)N=CN=C3NC4=C(C=CC5=C4OCO5)Cl)OC6CCOCC6

Isomeric SMILES

C1CCN(C1)CCOC2=CC(=C3C(=C2)N=CN=C3NC4=C(C=CC5=C4OCO5)Cl)OC6CCOCC6

InChI

InChI=1S/C26H29ClN4O5/c27-19-3-4-21-25(35-16-34-21)24(19)30-26-23-20(28-15-29-26)13-18(33-12-9-31-7-1-2-8-31)14-22(23)36-17-5-10-32-11-6-17/h3-4,13-15,17H,1-2,5-12,16H2,(H,28,29,30)