N-(3-ethynylphenyl)-6-[4-(2-methylsulfonylethylamino)butoxy]quinazolin-4-amine

Systemtic Name: N-(3-ethynylphenyl)-6-[4-(2-methylsulfonylethylamino)butoxy]quinazolin-4-amine Openeye Name: N-(3-ethynylphenyl)-6-[4-(2-methylsulfonylethylamino)butoxy]quinazolin-4-amine CAS Name: N-(3-ethynylphenyl)-6-[4-(2-methylsulfonylethylamino)butoxy]-4-quinazolinamine IUPAC Name: N-(3-ethynylphenyl)-6-[4-(2-methylsulfonylethylamino)butoxy]quinazolin-4-amine Traditional Name: 4-[4-(3-ethynylanilino)quinazolin-6-yl]oxybutyl-(2-mesylethyl)amine Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCCCCOC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C#C

Isomeric SMILES

CS(=O)(=O)CCNCCCCOC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C23H26N4O3S/c1-3-18-7-6-8-19(15-18)27-23-21-16-20(9-10-22(21)25-17-26-23)30-13-5-4-11-24-12-14-31(2,28)29/h1,6-10,15-17,24H,4-5,11-14H2,2H3,(H,25,26,27)