2-(3-azanyl-2-oxidanylidene-propyl)sulfanyl-3-(3-fluorophenyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(3-azanyl-2-oxidanylidene-propyl)sulfanyl-3-(3-fluorophenyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(3-amino-2-oxo-propyl)sulfanyl-3-(3-fluorophenyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3-amino-2-oxopropyl)thio]-3-(3-fluorophenyl)-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(3-amino-2-oxopropyl)sulfanyl-3-(3-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3-amino-2-keto-propyl)thio]-3-(3-fluorophenyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H16FN3O2S2 MolecularWeight: 425.499043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)CN)C4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)CN)C4=CC(=CC=C4)F

InChI

InChI=1S/C21H16FN3O2S2/c22-14-7-4-8-15(9-14)25-20(27)18-17(13-5-2-1-3-6-13)12-28-19(18)24-21(25)29-11-16(26)10-23/h1-9,12H,10-11,23H2