N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[[4-(ethylamino)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[[4-(ethylamino)quinazolin-2-yl]thio]propionamide Formula: C21H23ClN4OS MolecularWeight: 414.95152

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SC(C)C(=O)NC3=C(C=C(C=C3Cl)C)C

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SC(C)C(=O)NC3=C(C=C(C=C3Cl)C)C

InChI

InChI=1S/C21H23ClN4OS/c1-5-23-19-15-8-6-7-9-17(15)24-21(26-19)28-14(4)20(27)25-18-13(3)10-12(2)11-16(18)22/h6-11,14H,5H2,1-4H3,(H,25,27)(H,23,24,26)