N-(3-chloranyl-4-methoxy-phenyl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]propionamide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)SC2=NC3=CC=CC=C3C(=N2)NC4CC4

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)SC2=NC3=CC=CC=C3C(=N2)NC4CC4

InChI

InChI=1S/C21H21ClN4O2S/c1-12(20(27)24-14-9-10-18(28-2)16(22)11-14)29-21-25-17-6-4-3-5-15(17)19(26-21)23-13-7-8-13/h3-6,9-13H,7-8H2,1-2H3,(H,24,27)(H,23,25,26)