ethyl 5-benzamido-6-oxidanylidene-2-[(E)-2-(pyrimidin-2-ylamino)ethenyl]pyran-3-carboxylate

Systemtic Name: ethyl 5-benzamido-6-oxidanylidene-2-[(E)-2-(pyrimidin-2-ylamino)ethenyl]pyran-3-carboxylate Openeye Name: ethyl 5-benzamido-6-oxo-2-[(E)-2-(pyrimidin-2-ylamino)vinyl]pyran-3-carboxylate CAS Name: 5-benzamido-6-oxo-2-[(E)-2-(2-pyrimidinylamino)ethenyl]-3-pyrancarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzamido-6-oxo-2-[(E)-2-(pyrimidin-2-ylamino)ethenyl]pyran-3-carboxylate Traditional Name: 5-benzamido-6-keto-2-[(E)-2-(2-pyrimidylamino)vinyl]pyran-3-carboxylic acid ethyl ester Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=O)C(=C1)NC(=O)C2=CC=CC=C2)C=CNC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(OC(=O)C(=C1)NC(=O)C2=CC=CC=C2)/C=C/NC3=NC=CC=N3

InChI

InChI=1S/C21H18N4O5/c1-2-29-19(27)15-13-16(25-18(26)14-7-4-3-5-8-14)20(28)30-17(15)9-12-24-21-22-10-6-11-23-21/h3-13H,2H2,1H3,(H,25,26)(H,22,23,24)/b12-9+