5-azanyl-6-(2-fluorophenyl)carbonyl-1-phenethyl-thieno[2,3-d]pyrimidine-2,4-dione

Systemtic Name: 5-azanyl-6-(2-fluorophenyl)carbonyl-1-phenethyl-thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 5-amino-6-(2-fluorobenzoyl)-1-phenethyl-thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 5-amino-6-[(2-fluorophenyl)-oxomethyl]-1-phenethylthieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 5-amino-6-(2-fluorobenzoyl)-1-phenethylthieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 5-amino-6-(2-fluorobenzoyl)-1-phenethyl-thieno[2,3-d]pyrimidine-2,4-quinone Formula: C21H16FN3O3S MolecularWeight: 409.433443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C(=C(S3)C(=O)C4=CC=CC=C4F)N)C(=O)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C(=C(S3)C(=O)C4=CC=CC=C4F)N)C(=O)NC2=O

InChI

InChI=1S/C21H16FN3O3S/c22-14-9-5-4-8-13(14)17(26)18-16(23)15-19(27)24-21(28)25(20(15)29-18)11-10-12-6-2-1-3-7-12/h1-9H,10-11,23H2,(H,24,27,28)