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

Systemtic Name: 2-isocyanoethyl 3-aminocarbonyl-4-(2,1,3-benzoxadiazol-5-yl)-6-ethyl-2-methoxy-4H-pyrimidine-5-carboxylate Openeye Name: 2-isocyanoethyl 4-(2,1,3-benzoxadiazol-5-yl)-3-carbamoyl-6-ethyl-2-methoxy-4H-pyrimidine-5-carboxylate CAS Name: 4-(2,1,3-benzoxadiazol-5-yl)-3-carbamoyl-6-ethyl-2-methoxy-4H-pyrimidine-5-carboxylic acid 2-isocyanoethyl ester IUPAC Name: 2-isocyanoethyl 4-(2,1,3-benzoxadiazol-5-yl)-3-carbamoyl-6-ethyl-2-methoxy-4H-pyrimidine-5-carboxylate Traditional Name: 4-benzofurazan-5-yl-3-carbamoyl-6-ethyl-2-methoxy-4H-pyrimidine-5-carboxylic acid 2-isocyanoethyl ester Formula: C18H18N6O5 MolecularWeight: 398.37272

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(N(C(=N1)OC)C(=O)N)C2=CC3=NON=C3C=C2)C(=O)OCC[N+]#[C-]

Isomeric SMILES

CCC1=C(C(N(C(=N1)OC)C(=O)N)C2=CC3=NON=C3C=C2)C(=O)OCC[N+]#[C-]

InChI

InChI=1S/C18H18N6O5/c1-4-11-14(16(25)28-8-7-20-2)15(24(17(19)26)18(21-11)27-3)10-5-6-12-13(9-10)23-29-22-12/h5-6,9,15H,4,7-8H2,1,3H3,(H2,19,26)