2-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3-butyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(3-butyl-4-oxo-2-quinazolinyl)thio]methyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(3-butyl-4-keto-quinazolin-2-yl)thio]methyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H21FN4O2S2 MolecularWeight: 492.588243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC4=C(C(=CS4)C5=CC=C(C=C5)F)C(=O)N3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC4=C(C(=CS4)C5=CC=C(C=C5)F)C(=O)N3

InChI

InChI=1S/C25H21FN4O2S2/c1-2-3-12-30-24(32)17-6-4-5-7-19(17)27-25(30)34-14-20-28-22(31)21-18(13-33-23(21)29-20)15-8-10-16(26)11-9-15/h4-11,13H,2-3,12,14H2,1H3,(H,28,29,31)