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

Systemtic Name: 7-chloranyl-N-(3-ethynylphenyl)-6-(4-methylsulfonylphenoxy)quinazolin-4-amine Openeye Name: 7-chloro-N-(3-ethynylphenyl)-6-(4-methylsulfonylphenoxy)quinazolin-4-amine CAS Name: 7-chloro-N-(3-ethynylphenyl)-6-(4-methylsulfonylphenoxy)-4-quinazolinamine IUPAC Name: 7-chloro-N-(3-ethynylphenyl)-6-(4-methylsulfonylphenoxy)quinazolin-4-amine Traditional Name: [7-chloro-6-(4-mesylphenoxy)quinazolin-4-yl]-(3-ethynylphenyl)amine Formula: C23H16ClN3O3S MolecularWeight: 449.90944

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=CC(=C4)C#C)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=CC(=C4)C#C)Cl

InChI

InChI=1S/C23H16ClN3O3S/c1-3-15-5-4-6-16(11-15)27-23-19-12-22(20(24)13-21(19)25-14-26-23)30-17-7-9-18(10-8-17)31(2,28)29/h1,4-14H,2H3,(H,25,26,27)