2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)ethanamide Openeye Name: 2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide CAS Name: 2-[[4-(cyclohexylamino)-2-quinazolinyl]thio]-N-(5-methyl-1H-pyrazol-3-yl)acetamide IUPAC Name: 2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide Traditional Name: 2-[[4-(cyclohexylamino)quinazolin-2-yl]thio]-N-(5-methyl-1H-pyrazol-3-yl)acetamide Formula: C20H24N6OS MolecularWeight: 396.50916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4CCCCC4

Isomeric SMILES

CC1=CC(=NN1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4CCCCC4

InChI

InChI=1S/C20H24N6OS/c1-13-11-17(26-25-13)23-18(27)12-28-20-22-16-10-6-5-9-15(16)19(24-20)21-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8,12H2,1H3,(H,21,22,24)(H2,23,25,26,27)