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

Systemtic Name: 2-[[3-(2-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[3-(2-ethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[[3-(2-ethoxyphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(4-keto-3-o-phenetyl-quinazolin-2-yl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C29H22N4O3S2 MolecularWeight: 538.63998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=C(C(=CS5)C6=CC=CC=C6)C(=O)N4

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=C(C(=CS5)C6=CC=CC=C6)C(=O)N4

InChI

InChI=1S/C29H22N4O3S2/c1-2-36-23-15-9-8-14-22(23)33-28(35)19-12-6-7-13-21(19)30-29(33)38-17-24-31-26(34)25-20(16-37-27(25)32-24)18-10-4-3-5-11-18/h3-16H,2,17H2,1H3,(H,31,32,34)