2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC3=CC=CC=C3C(=N2)NC4CC4

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC3=CC=CC=C3C(=N2)NC4CC4

InChI

InChI=1S/C21H21N5O4S/c1-12(20(27)23-17-11-14(26(28)29)9-10-18(17)30-2)31-21-24-16-6-4-3-5-15(16)19(25-21)22-13-7-8-13/h3-6,9-13H,7-8H2,1-2H3,(H,23,27)(H,22,24,25)