N-butyl-2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-methyl-ethanamide

Systemtic Name: N-butyl-2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-methyl-ethanamide Openeye Name: N-butyl-2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-methyl-acetamide CAS Name: N-butyl-2-[[4-(cyclohexylamino)-2-quinazolinyl]thio]-N-methylacetamide IUPAC Name: N-butyl-2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide Traditional Name: N-butyl-2-[[4-(cyclohexylamino)quinazolin-2-yl]thio]-N-methyl-acetamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4OS/c1-3-4-14-25(2)19(26)15-27-21-23-18-13-9-8-12-17(18)20(24-21)22-16-10-6-5-7-11-16/h8-9,12-13,16H,3-7,10-11,14-15H2,1-2H3,(H,22,23,24)