N-[3-fluoranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]-6-[2-(methylamino)ethoxy]quinazolin-4-amine

Systemtic Name: N-[3-fluoranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]-6-[2-(methylamino)ethoxy]quinazolin-4-amine Openeye Name: N-[3-fluoro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]-6-[2-(methylamino)ethoxy]quinazolin-4-amine CAS Name: N-[3-fluoro-4-[(1-methyl-2-imidazolyl)thio]phenyl]-6-[2-(methylamino)ethoxy]-4-quinazolinamine IUPAC Name: N-[3-fluoro-4-(1-methylimidazol-2-yl)sulfanylphenyl]-6-[2-(methylamino)ethoxy]quinazolin-4-amine Traditional Name: 2-[4-[3-fluoro-4-[(1-methylimidazol-2-yl)thio]anilino]quinazolin-6-yl]oxyethyl-methyl-amine Formula: C21H21FN6OS MolecularWeight: 424.494443

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Descriptors Computed from Structure

Canonical SMILES:

CNCCOC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)SC4=NC=CN4C)F

Isomeric SMILES

CNCCOC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)SC4=NC=CN4C)F

InChI

InChI=1S/C21H21FN6OS/c1-23-8-10-29-15-4-5-18-16(12-15)20(26-13-25-18)27-14-3-6-19(17(22)11-14)30-21-24-7-9-28(21)2/h3-7,9,11-13,23H,8,10H2,1-2H3,(H,25,26,27)