N-(4-bromanyl-2-fluoranyl-phenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine hydrate

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine hydrate Openeye Name: N-(4-bromo-2-fluoro-phenyl)-6-methoxy-7-[(1-methyl-4-piperidyl)methoxy]quinazolin-4-amine hydrate CAS Name: N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methyl-4-piperidinyl)methoxy]-4-quinazolinamine hydrate IUPAC Name: N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine hydrate Traditional Name: (4-bromo-2-fluoro-phenyl)-[6-methoxy-7-[(1-methyl-4-piperidyl)methoxy]quinazolin-4-yl]amine hydrate Formula: C22H26BrFN4O3 MolecularWeight: 493.369243

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC.O

Isomeric SMILES

CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC.O

InChI

InChI=1S/C22H24BrFN4O2.H2O/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24;/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27);1H2