2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-ethanone CAS Name: 2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]ethanone Formula: C24H27N5O3S2 MolecularWeight: 497.63288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=CC=CC=C32)SCC(=O)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CC1NC2=NC(=NC3=CC=CC=C32)SCC(=O)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C24H27N5O3S2/c30-22(28-12-14-29(15-13-28)34(31,32)17-18-6-2-1-3-7-18)16-33-24-26-21-9-5-4-8-20(21)23(27-24)25-19-10-11-19/h1-9,19H,10-17H2,(H,25,26,27)