3-(3-morpholin-4-ylpropyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-morpholin-4-ylpropyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-morpholinopropyl)-2-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-quinazolin-4-one CAS Name: 3-[3-(4-morpholinyl)propyl]-2-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-4-quinazolinone IUPAC Name: 3-(3-morpholin-4-ylpropyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-morpholinopropyl)-2-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]quinazolin-4-one Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN2C(=O)C3=CC=CC=C3N=C2SC=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCN2C(=O)C3=CC=CC=C3N=C2S/C=C/C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S/c26-20-17-4-1-2-5-18(17)22-21(24(20)10-3-9-23-11-13-29-14-12-23)31-15-8-16-6-7-19(30-16)25(27)28/h1-2,4-8,15H,3,9-14H2/b15-8+