3-(4-fluorophenyl)-2-[[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylmethyl]quinazolin-4-one

Systemtic Name: 3-(4-fluorophenyl)-2-[[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylmethyl]quinazolin-4-one Openeye Name: 3-(4-fluorophenyl)-2-[[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]quinazolin-4-one CAS Name: 3-(4-fluorophenyl)-2-[[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]-4-quinazolinone IUPAC Name: 3-(4-fluorophenyl)-2-[[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]quinazolin-4-one Traditional Name: 3-(4-fluorophenyl)-2-[[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]quinazolin-4-one Formula: C26H21FN4O3S MolecularWeight: 488.533343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H21FN4O3S/c27-17-10-12-18(13-11-17)31-23(28-21-8-3-2-7-20(21)25(31)34)16-35-26-29-22-9-4-1-6-19(22)24(33)30(26)14-5-15-32/h1-4,6-13,32H,5,14-16H2