N-(4-chloranyl-2-fluoranyl-phenyl)-6-methoxy-7-(2-thiomorpholin-4-ylethoxy)quinazolin-4-amine

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-6-methoxy-7-(2-thiomorpholin-4-ylethoxy)quinazolin-4-amine Openeye Name: N-(4-chloro-2-fluoro-phenyl)-6-methoxy-7-(2-thiomorpholinoethoxy)quinazolin-4-amine CAS Name: N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-thiomorpholin-4-ylethoxy)-4-quinazolinamine IUPAC Name: N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-thiomorpholin-4-ylethoxy)quinazolin-4-amine Traditional Name: (4-chloro-2-fluoro-phenyl)-[6-methoxy-7-(2-thiomorpholinoethoxy)quinazolin-4-yl]amine Formula: C21H22ClFN4O2S MolecularWeight: 448.941383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Cl)F)OCCN4CCSCC4

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Cl)F)OCCN4CCSCC4

InChI

InChI=1S/C21H22ClFN4O2S/c1-28-19-11-15-18(12-20(19)29-7-4-27-5-8-30-9-6-27)24-13-25-21(15)26-17-3-2-14(22)10-16(17)23/h2-3,10-13H,4-9H2,1H3,(H,24,25,26)