6-(4-bromophenyl)sulfanyl-7-chloranyl-N-(3-ethynylphenyl)quinazolin-4-amine

Systemtic Name: 6-(4-bromophenyl)sulfanyl-7-chloranyl-N-(3-ethynylphenyl)quinazolin-4-amine Openeye Name: 6-(4-bromophenyl)sulfanyl-7-chloro-N-(3-ethynylphenyl)quinazolin-4-amine CAS Name: 6-[(4-bromophenyl)thio]-7-chloro-N-(3-ethynylphenyl)-4-quinazolinamine IUPAC Name: 6-(4-bromophenyl)sulfanyl-7-chloro-N-(3-ethynylphenyl)quinazolin-4-amine Traditional Name: [6-[(4-bromophenyl)thio]-7-chloro-quinazolin-4-yl]-(3-ethynylphenyl)amine Formula: C22H13BrClN3S MolecularWeight: 466.78072

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C32)SC4=CC=C(C=C4)Br)Cl

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C32)SC4=CC=C(C=C4)Br)Cl

InChI

InChI=1S/C22H13BrClN3S/c1-2-14-4-3-5-16(10-14)27-22-18-11-21(19(24)12-20(18)25-13-26-22)28-17-8-6-15(23)7-9-17/h1,3-13H,(H,25,26,27)