2-isocyanoethyl 4-(2,1,3-benzoxadiazol-5-yl)-6-ethyl-2-methoxy-3-(1-phenylethylcarbamoyl)-4H-pyrimidine-5-carboxylate

Systemtic Name: 2-isocyanoethyl 4-(2,1,3-benzoxadiazol-5-yl)-6-ethyl-2-methoxy-3-(1-phenylethylcarbamoyl)-4H-pyrimidine-5-carboxylate Openeye Name: 2-isocyanoethyl 4-(2,1,3-benzoxadiazol-5-yl)-6-ethyl-2-methoxy-3-(1-phenylethylcarbamoyl)-4H-pyrimidine-5-carboxylate CAS Name: 4-(2,1,3-benzoxadiazol-5-yl)-6-ethyl-2-methoxy-3-[oxo-(1-phenylethylamino)methyl]-4H-pyrimidine-5-carboxylic acid 2-isocyanoethyl ester IUPAC Name: 2-isocyanoethyl 4-(2,1,3-benzoxadiazol-5-yl)-6-ethyl-2-methoxy-3-(1-phenylethylcarbamoyl)-4H-pyrimidine-5-carboxylate Traditional Name: 4-benzofurazan-5-yl-6-ethyl-2-methoxy-3-(1-phenylethylcarbamoyl)-4H-pyrimidine-5-carboxylic acid 2-isocyanoethyl ester Formula: C26H26N6O5 MolecularWeight: 502.52184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(N(C(=N1)OC)C(=O)NC(C)C2=CC=CC=C2)C3=CC4=NON=C4C=C3)C(=O)OCC[N+]#[C-]

Isomeric SMILES

CCC1=C(C(N(C(=N1)OC)C(=O)NC(C)C2=CC=CC=C2)C3=CC4=NON=C4C=C3)C(=O)OCC[N+]#[C-]

InChI

InChI=1S/C26H26N6O5/c1-5-19-22(24(33)36-14-13-27-3)23(18-11-12-20-21(15-18)31-37-30-20)32(26(29-19)35-4)25(34)28-16(2)17-9-7-6-8-10-17/h6-12,15-16,23H,5,13-14H2,1-2,4H3,(H,28,34)