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

Systemtic Name: N-[3-fluoranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]-6-[2-(methylamino)ethoxy]quinazolin-2-amine Openeye Name: N-[3-fluoro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]-6-[2-(methylamino)ethoxy]quinazolin-2-amine CAS Name: N-[3-fluoro-4-[(1-methyl-2-imidazolyl)thio]phenyl]-6-[2-(methylamino)ethoxy]-2-quinazolinamine IUPAC Name: N-[3-fluoro-4-(1-methylimidazol-2-yl)sulfanylphenyl]-6-[2-(methylamino)ethoxy]quinazolin-2-amine Traditional Name: 2-[2-[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=CN=C(N=C2C=C1)NC3=CC(=C(C=C3)SC4=NC=CN4C)F

Isomeric SMILES

CNCCOC1=CC2=CN=C(N=C2C=C1)NC3=CC(=C(C=C3)SC4=NC=CN4C)F

InChI

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