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

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-[2-(morpholinomethyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-2-[[2-(morpholinomethyl)quinazolin-4-yl]thio]propionamide Formula: C23H25N5O5S MolecularWeight: 483.5401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

InChI

InChI=1S/C23H25N5O5S/c1-15(22(29)25-19-13-16(28(30)31)7-8-20(19)32-2)34-23-17-5-3-4-6-18(17)24-21(26-23)14-27-9-11-33-12-10-27/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,29)