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

Systemtic Name: N-(5-chloranyl-1,3-benzodioxol-4-yl)-5-morpholin-4-yl-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine Openeye Name: N-(5-chloro-1,3-benzodioxol-4-yl)-5-morpholino-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine CAS Name: N-(5-chloro-1,3-benzodioxol-4-yl)-5-(4-morpholinyl)-7-[2-(1-pyrrolidinyl)ethoxy]-4-quinazolinamine IUPAC Name: N-(5-chloro-1,3-benzodioxol-4-yl)-5-morpholin-4-yl-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine Traditional Name: (5-chloro-1,3-benzodioxol-4-yl)-[5-morpholino-7-(2-pyrrolidinoethoxy)quinazolin-4-yl]amine Formula: C25H28ClN5O4 MolecularWeight: 497.97392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC(=C3C(=C2)N=CN=C3NC4=C(C=CC5=C4OCO5)Cl)N6CCOCC6

Isomeric SMILES

C1CCN(C1)CCOC2=CC(=C3C(=C2)N=CN=C3NC4=C(C=CC5=C4OCO5)Cl)N6CCOCC6

InChI

InChI=1S/C25H28ClN5O4/c26-18-3-4-21-24(35-16-34-21)23(18)29-25-22-19(27-15-28-25)13-17(33-12-7-30-5-1-2-6-30)14-20(22)31-8-10-32-11-9-31/h3-4,13-15H,1-2,5-12,16H2,(H,27,28,29)