2-(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide

Systemtic Name: 2-(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide Openeye Name: 2-(3-amino-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide CAS Name: 2-[(3-amino-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(4-fluorophenyl)propanamide IUPAC Name: 2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide Traditional Name: 2-[(3-amino-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-fluorophenyl)propionamide Formula: C21H17FN4O2S2 MolecularWeight: 440.513683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)F)SC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)F)SC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N

InChI

InChI=1S/C21H17FN4O2S2/c1-12(18(27)24-15-9-7-14(22)8-10-15)30-21-25-19-17(20(28)26(21)23)16(11-29-19)13-5-3-2-4-6-13/h2-12H,23H2,1H3,(H,24,27)