2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide

Systemtic Name: 2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide Openeye Name: 2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-isopentyl-acetamide CAS Name: 2-[[4-(cyclohexylamino)-2-quinazolinyl]thio]-N-(3-methylbutyl)acetamide IUPAC Name: 2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide Traditional Name: 2-[[4-(cyclohexylamino)quinazolin-2-yl]thio]-N-isoamyl-acetamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3CCCCC3

Isomeric SMILES

CC(C)CCNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3CCCCC3

InChI

InChI=1S/C21H30N4OS/c1-15(2)12-13-22-19(26)14-27-21-24-18-11-7-6-10-17(18)20(25-21)23-16-8-4-3-5-9-16/h6-7,10-11,15-16H,3-5,8-9,12-14H2,1-2H3,(H,22,26)(H,23,24,25)