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

Systemtic Name: 2-[(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H22N4O2S2 MolecularWeight: 474.59778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C25H22N4O2S2/c1-3-15(2)29-24(31)17-11-7-8-12-19(17)26-25(29)33-14-20-27-22(30)21-18(13-32-23(21)28-20)16-9-5-4-6-10-16/h4-13,15H,3,14H2,1-2H3,(H,27,28,30)