3-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 3-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 3-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 3-[[4-(ethylamino)-2-quinazolinyl]thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 3-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 3-[[4-(ethylamino)quinazolin-2-yl]thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H21N5O4S/c1-3-21-19-14-6-4-5-7-15(14)23-20(24-19)30-11-10-18(26)22-16-12-13(25(27)28)8-9-17(16)29-2/h4-9,12H,3,10-11H2,1-2H3,(H,22,26)(H,21,23,24)