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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]propionamide Formula: C20H18ClN5O3S MolecularWeight: 443.90662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN5O3S/c1-11(19(27)23-17-10-13(26(28)29)8-9-15(17)21)30-20-24-16-5-3-2-4-14(16)18(25-20)22-12-6-7-12/h2-5,8-12H,6-7H2,1H3,(H,23,27)(H,22,24,25)