N-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyethanoyl)pyrrol-1-yl]benzamide

Systemtic Name: N-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyethanoyl)pyrrol-1-yl]benzamide Openeye Name: N-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]benzamide CAS Name: N-[2,5-dimethyl-3-[1-oxo-2-(4-thieno[2,3-d]pyrimidinyloxy)ethyl]-1-pyrrolyl]benzamide IUPAC Name: N-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]benzamide Traditional Name: N-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]benzamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)COC3=C4C=CSC4=NC=N3

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)COC3=C4C=CSC4=NC=N3

InChI

InChI=1S/C21H18N4O3S/c1-13-10-17(14(2)25(13)24-19(27)15-6-4-3-5-7-15)18(26)11-28-20-16-8-9-29-21(16)23-12-22-20/h3-10,12H,11H2,1-2H3,(H,24,27)