N-(3-morpholin-4-ylpropyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxamide

Systemtic Name: N-(3-morpholin-4-ylpropyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxamide Openeye Name: N-(3-morpholinopropyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxamide CAS Name: N-[3-(4-morpholinyl)propyl]-2-[(3-nitrophenyl)methylthio]-4-oxo-3-(2-oxolanylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-(3-morpholin-4-ylpropyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-(oxolan-2-ylmethyl)quinazoline-7-carboxamide Traditional Name: 4-keto-N-(3-morpholinopropyl)-2-[(3-nitrobenzyl)thio]-3-(tetrahydrofurfuryl)quinazoline-7-carboxamide Formula: C28H33N5O6S MolecularWeight: 567.65652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCCN4CCOCC4)N=C2SCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCCN4CCOCC4)N=C2SCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H33N5O6S/c34-26(29-9-3-10-31-11-14-38-15-12-31)21-7-8-24-25(17-21)30-28(32(27(24)35)18-23-6-2-13-39-23)40-19-20-4-1-5-22(16-20)33(36)37/h1,4-5,7-8,16-17,23H,2-3,6,9-15,18-19H2,(H,29,34)