N-[5-chloranyl-7-[2-(1H-pyrazol-5-yl)ethynyl]-1,3-benzodioxol-4-yl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

Systemtic Name: N-[5-chloranyl-7-[2-(1H-pyrazol-5-yl)ethynyl]-1,3-benzodioxol-4-yl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine Openeye Name: N-[5-chloro-7-[2-(1H-pyrazol-5-yl)ethynyl]-1,3-benzodioxol-4-yl]-6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-amine CAS Name: N-[5-chloro-7-[2-(1H-pyrazol-5-yl)ethynyl]-1,3-benzodioxol-4-yl]-6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinazolinamine IUPAC Name: N-[5-chloro-7-[2-(1H-pyrazol-5-yl)ethynyl]-1,3-benzodioxol-4-yl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine Traditional Name: [5-chloro-7-[2-(1H-pyrazol-5-yl)ethynyl]-1,3-benzodioxol-4-yl]-[6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-yl]amine Formula: C28H27ClN6O5 MolecularWeight: 563.00418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C4=C3OCO4)C#CC5=CC=NN5)Cl)OCCCN6CCOCC6

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C4=C3OCO4)C#CC5=CC=NN5)Cl)OCCCN6CCOCC6

InChI

InChI=1S/C28H27ClN6O5/c1-36-23-14-20-22(15-24(23)38-10-2-7-35-8-11-37-12-9-35)30-16-31-28(20)33-25-21(29)13-18(26-27(25)40-17-39-26)3-4-19-5-6-32-34-19/h5-6,13-16H,2,7-12,17H2,1H3,(H,32,34)(H,30,31,33)