2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-(cyclohexylamino)-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-(cyclohexylamino)quinazolin-2-yl]thio]acetonitrile Formula: C16H18N4S MolecularWeight: 298.40592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=NC3=CC=CC=C32)SCC#N

Isomeric SMILES

C1CCC(CC1)NC2=NC(=NC3=CC=CC=C32)SCC#N

InChI

InChI=1S/C16H18N4S/c17-10-11-21-16-19-14-9-5-4-8-13(14)15(20-16)18-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,11H2,(H,18,19,20)