7-chloranyl-6-[4-(4-chlorophenyl)sulfanylphenoxy]-N-(3-ethynylphenyl)quinazolin-4-amine

Systemtic Name: 7-chloranyl-6-[4-(4-chlorophenyl)sulfanylphenoxy]-N-(3-ethynylphenyl)quinazolin-4-amine Openeye Name: 7-chloro-6-[4-(4-chlorophenyl)sulfanylphenoxy]-N-(3-ethynylphenyl)quinazolin-4-amine CAS Name: 7-chloro-6-[4-[(4-chlorophenyl)thio]phenoxy]-N-(3-ethynylphenyl)-4-quinazolinamine IUPAC Name: 7-chloro-6-[4-(4-chlorophenyl)sulfanylphenoxy]-N-(3-ethynylphenyl)quinazolin-4-amine Traditional Name: [7-chloro-6-[4-[(4-chlorophenyl)thio]phenoxy]quinazolin-4-yl]-(3-ethynylphenyl)amine Formula: C28H17Cl2N3OS MolecularWeight: 514.42508

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C32)OC4=CC=C(C=C4)SC5=CC=C(C=C5)Cl)Cl

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C32)OC4=CC=C(C=C4)SC5=CC=C(C=C5)Cl)Cl

InChI

InChI=1S/C28H17Cl2N3OS/c1-2-18-4-3-5-20(14-18)33-28-24-15-27(25(30)16-26(24)31-17-32-28)34-21-8-12-23(13-9-21)35-22-10-6-19(29)7-11-22/h1,3-17H,(H,31,32,33)