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

Systemtic Name: N-(3-ethynylphenyl)-6-[4-(methylsulfonylmethylamino)butoxy]quinazolin-4-amine Openeye Name: N-(3-ethynylphenyl)-6-[4-(methylsulfonylmethylamino)butoxy]quinazolin-4-amine CAS Name: N-(3-ethynylphenyl)-6-[4-(methylsulfonylmethylamino)butoxy]-4-quinazolinamine IUPAC Name: N-(3-ethynylphenyl)-6-[4-(methylsulfonylmethylamino)butoxy]quinazolin-4-amine Traditional Name: 4-[4-(3-ethynylanilino)quinazolin-6-yl]oxybutyl-(mesylmethyl)amine Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CNCCCCOC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C#C

Isomeric SMILES

CS(=O)(=O)CNCCCCOC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C22H24N4O3S/c1-3-17-7-6-8-18(13-17)26-22-20-14-19(9-10-21(20)24-15-25-22)29-12-5-4-11-23-16-30(2,27)28/h1,6-10,13-15,23H,4-5,11-12,16H2,2H3,(H,24,25,26)