6-[2-(4-azanyloxan-4-yl)ethynyl]-N-[1-(phenylsulfonyl)indol-5-yl]quinazolin-4-amine

Systemtic Name: 6-[2-(4-azanyloxan-4-yl)ethynyl]-N-[1-(phenylsulfonyl)indol-5-yl]quinazolin-4-amine Openeye Name: 6-[2-(4-aminotetrahydropyran-4-yl)ethynyl]-N-[1-(benzenesulfonyl)indol-5-yl]quinazolin-4-amine CAS Name: 6-[2-(4-amino-4-oxanyl)ethynyl]-N-[1-(benzenesulfonyl)-5-indolyl]-4-quinazolinamine IUPAC Name: 6-[2-(4-aminooxan-4-yl)ethynyl]-N-[1-(benzenesulfonyl)indol-5-yl]quinazolin-4-amine Traditional Name: [6-[2-(4-aminotetrahydropyran-4-yl)ethynyl]quinazolin-4-yl]-(1-besylindol-5-yl)amine Formula: C29H25N5O3S MolecularWeight: 523.6055

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC5=C(C=C4)N(C=C5)S(=O)(=O)C6=CC=CC=C6)N

Isomeric SMILES

C1COCCC1(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC5=C(C=C4)N(C=C5)S(=O)(=O)C6=CC=CC=C6)N

InChI

InChI=1S/C29H25N5O3S/c30-29(13-16-37-17-14-29)12-10-21-6-8-26-25(18-21)28(32-20-31-26)33-23-7-9-27-22(19-23)11-15-34(27)38(35,36)24-4-2-1-3-5-24/h1-9,11,15,18-20H,13-14,16-17,30H2,(H,31,32,33)