ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-phenyl-pyrimidine-5-carboxylate CAS Name: 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate Traditional Name: 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)NC2=NC3=CC=CC=C3O2)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)NC2=NC3=CC=CC=C3O2)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O3/c1-3-27-19(26)17-13(2)22-20(24-18(17)14-9-5-4-6-10-14)25-21-23-15-11-7-8-12-16(15)28-21/h4-12H,3H2,1-2H3,(H,22,23,24,25)