N-(3-morpholin-4-ylpropyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxamide

Systemtic Name: N-(3-morpholin-4-ylpropyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(3-morpholinopropyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: N-[3-(4-morpholinyl)propyl]-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-oxo-3-prop-2-enyl-7-quinazolinecarboxamide IUPAC Name: N-(3-morpholin-4-ylpropyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxo-3-prop-2-enylquinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-(3-morpholinopropyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]quinazoline-7-carboxamide Formula: C28H31N5O7S MolecularWeight: 581.64004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCN3CCOCC3)N=C1SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCN3CCOCC3)N=C1SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C28H31N5O7S/c1-2-7-32-27(35)23-5-4-19(26(34)29-6-3-8-31-9-11-38-12-10-31)15-24(23)30-28(32)41-17-21-14-22(33(36)37)13-20-16-39-18-40-25(20)21/h2,4-5,13-15H,1,3,6-12,16-18H2,(H,29,34)