2-(1H-azepin-2-yl)-N-(2-methylsulfonylethyl)quinazolin-4-amine

Systemtic Name: 2-(1H-azepin-2-yl)-N-(2-methylsulfonylethyl)quinazolin-4-amine Openeye Name: 2-(1H-azepin-2-yl)-N-(2-methylsulfonylethyl)quinazolin-4-amine CAS Name: 2-(1H-azepin-2-yl)-N-(2-methylsulfonylethyl)-4-quinazolinamine IUPAC Name: 2-(1H-azepin-2-yl)-N-(2-methylsulfonylethyl)quinazolin-4-amine Traditional Name: [2-(1H-azepin-2-yl)quinazolin-4-yl]-(2-mesylethyl)amine Formula: C17H18N4O2S MolecularWeight: 342.41542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=CN3

Isomeric SMILES

CS(=O)(=O)CCNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=CN3

InChI

InChI=1S/C17H18N4O2S/c1-24(22,23)12-11-19-16-13-7-4-5-8-14(13)20-17(21-16)15-9-3-2-6-10-18-15/h2-10,18H,11-12H2,1H3,(H,19,20,21)