N-[1-(phenylsulfonyl)indol-5-yl]-6-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine

Systemtic Name: N-[1-(phenylsulfonyl)indol-5-yl]-6-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine Openeye Name: N-[1-(benzenesulfonyl)indol-5-yl]-6-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine CAS Name: N-[1-(benzenesulfonyl)-5-indolyl]-6-[3-(1-pyrrolidinyl)prop-1-ynyl]-4-quinazolinamine IUPAC Name: N-[1-(benzenesulfonyl)indol-5-yl]-6-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine Traditional Name: (1-besylindol-5-yl)-[6-(3-pyrrolidinoprop-1-ynyl)quinazolin-4-yl]amine Formula: C29H25N5O2S MolecularWeight: 507.6061

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC#CC2=CC3=C(C=C2)N=CN=C3NC4=CC5=C(C=C4)N(C=C5)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1CCN(C1)CC#CC2=CC3=C(C=C2)N=CN=C3NC4=CC5=C(C=C4)N(C=C5)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C29H25N5O2S/c35-37(36,25-8-2-1-3-9-25)34-18-14-23-20-24(11-13-28(23)34)32-29-26-19-22(10-12-27(26)30-21-31-29)7-6-17-33-15-4-5-16-33/h1-3,8-14,18-21H,4-5,15-17H2,(H,30,31,32)