2-(4-methylsulfonylpiperazin-1-yl)-N-(1-phenylethyl)quinazolin-4-amine

Systemtic Name: 2-(4-methylsulfonylpiperazin-1-yl)-N-(1-phenylethyl)quinazolin-4-amine Openeye Name: 2-(4-methylsulfonylpiperazin-1-yl)-N-(1-phenylethyl)quinazolin-4-amine CAS Name: 2-(4-methylsulfonyl-1-piperazinyl)-N-(1-phenylethyl)-4-quinazolinamine IUPAC Name: 2-(4-methylsulfonylpiperazin-1-yl)-N-(1-phenylethyl)quinazolin-4-amine Traditional Name: [2-(4-mesylpiperazino)quinazolin-4-yl]-(1-phenylethyl)amine Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)N4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C21H25N5O2S/c1-16(17-8-4-3-5-9-17)22-20-18-10-6-7-11-19(18)23-21(24-20)25-12-14-26(15-13-25)29(2,27)28/h3-11,16H,12-15H2,1-2H3,(H,22,23,24)