ethyl 2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-(cyclohexylamino)-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(cyclohexylamino)quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3CCCCC3

Isomeric SMILES

CCOC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3CCCCC3

InChI

InChI=1S/C18H23N3O2S/c1-2-23-16(22)12-24-18-20-15-11-7-6-10-14(15)17(21-18)19-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,19,20,21)