1-[(2-methylsulfonylquinazolin-4-yl)amino]-3-octyl-urea

Systemtic Name: 1-[(2-methylsulfonylquinazolin-4-yl)amino]-3-octyl-urea Openeye Name: 1-[(2-methylsulfonylquinazolin-4-yl)amino]-3-octyl-urea CAS Name: 1-[(2-methylsulfonyl-4-quinazolinyl)amino]-3-octylurea IUPAC Name: 1-[(2-methylsulfonylquinazolin-4-yl)amino]-3-octylurea Traditional Name: 1-[(2-mesylquinazolin-4-yl)amino]-3-octyl-urea Formula: C18H27N5O3S MolecularWeight: 393.50368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NNC1=NC(=NC2=CC=CC=C21)S(=O)(=O)C

Isomeric SMILES

CCCCCCCCNC(=O)NNC1=NC(=NC2=CC=CC=C21)S(=O)(=O)C

InChI

InChI=1S/C18H27N5O3S/c1-3-4-5-6-7-10-13-19-17(24)23-22-16-14-11-8-9-12-15(14)20-18(21-16)27(2,25)26/h8-9,11-12H,3-7,10,13H2,1-2H3,(H2,19,23,24)(H,20,21,22)