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

Systemtic Name: N-[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]-5-(2-dimethylaminoethyloxy)quinazolin-4-amine Openeye Name: N-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]-5-(2-dimethylaminoethyloxy)quinazolin-4-amine CAS Name: N-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]phenyl]-5-(2-dimethylaminoethyloxy)-4-quinazolinamine IUPAC Name: N-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-(2-dimethylaminoethyloxy)quinazolin-4-amine Traditional Name: 2-[4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]quinazolin-5-yl]oxyethyl-dimethyl-amine Formula: C22H23ClN6OS MolecularWeight: 454.97562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=NC=NC4=C3C(=CC=C4)OCCN(C)C)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=NC=NC4=C3C(=CC=C4)OCCN(C)C)Cl

InChI

InChI=1S/C22H23ClN6OS/c1-28(2)11-12-30-18-6-4-5-17-20(18)21(26-14-25-17)27-15-7-8-19(16(23)13-15)31-22-24-9-10-29(22)3/h4-10,13-14H,11-12H2,1-3H3,(H,25,26,27)