N-[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]-5-[2-(dimethylamino)propoxy]quinazolin-4-amine

Systemtic Name: N-[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]-5-[2-(dimethylamino)propoxy]quinazolin-4-amine Openeye Name: N-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]-5-[2-(dimethylamino)propoxy]quinazolin-4-amine CAS Name: N-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]phenyl]-5-[2-(dimethylamino)propoxy]-4-quinazolinamine IUPAC Name: N-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-[2-(dimethylamino)propoxy]quinazolin-4-amine Traditional Name: [2-[4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]quinazolin-5-yl]oxy-1-methyl-ethyl]-dimethyl-amine Formula: C23H25ClN6OS MolecularWeight: 469.0022

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC2=C1C(=NC=N2)NC3=CC(=C(C=C3)SC4=NC=CN4C)Cl)N(C)C

Isomeric SMILES

CC(COC1=CC=CC2=C1C(=NC=N2)NC3=CC(=C(C=C3)SC4=NC=CN4C)Cl)N(C)C

InChI

InChI=1S/C23H25ClN6OS/c1-15(29(2)3)13-31-19-7-5-6-18-21(19)22(27-14-26-18)28-16-8-9-20(17(24)12-16)32-23-25-10-11-30(23)4/h5-12,14-15H,13H2,1-4H3,(H,26,27,28)