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

Systemtic Name: N-(5-chloranyl-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine Openeye Name: N-(5-chloro-1,3-benzodioxol-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-5-tetrahydropyran-4-yloxy-quinazolin-4-amine CAS Name: N-(5-chloro-1,3-benzodioxol-4-yl)-5-(4-oxanyloxy)-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinamine IUPAC Name: N-(5-chloro-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine Traditional Name: (5-chloro-1,3-benzodioxol-4-yl)-[7-(3-pyrrolidinopropoxy)-5-tetrahydropyran-4-yloxy-quinazolin-4-yl]amine Formula: C27H31ClN4O5 MolecularWeight: 527.01184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCOC2=CC(=C3C(=C2)N=CN=C3NC4=C(C=CC5=C4OCO5)Cl)OC6CCOCC6

Isomeric SMILES

C1CCN(C1)CCCOC2=CC(=C3C(=C2)N=CN=C3NC4=C(C=CC5=C4OCO5)Cl)OC6CCOCC6

InChI

InChI=1S/C27H31ClN4O5/c28-20-4-5-22-26(36-17-35-22)25(20)31-27-24-21(29-16-30-27)14-19(34-11-3-10-32-8-1-2-9-32)15-23(24)37-18-6-12-33-13-7-18/h4-5,14-16,18H,1-3,6-13,17H2,(H,29,30,31)