N-[3-acetamido-4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoyl)phenyl]ethanamide

Systemtic Name: N-[3-acetamido-4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoyl)phenyl]ethanamide Openeye Name: N-[3-acetamido-4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]acetamide CAS Name: N-[3-acetamido-4-[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]phenyl]acetamide IUPAC Name: N-[3-acetamido-4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]acetamide Traditional Name: N-[3-acetamido-4-[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]phenyl]acetamide Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)CSC2=NC=NC3=C2C=CS3)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)CSC2=NC=NC3=C2C=CS3)NC(=O)C

InChI

InChI=1S/C18H16N4O3S2/c1-10(23)21-12-3-4-13(15(7-12)22-11(2)24)16(25)8-27-18-14-5-6-26-17(14)19-9-20-18/h3-7,9H,8H2,1-2H3,(H,21,23)(H,22,24)