ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(4-chlorophenyl)sulfanylmethyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(4-chlorophenyl)sulfanylmethyl]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(4-chlorophenyl)sulfanylmethyl]pyrimidine-5-carboxylate CAS Name: 2-(1,3-benzoxazol-2-ylamino)-4-[[(4-chlorophenyl)thio]methyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(4-chlorophenyl)sulfanylmethyl]pyrimidine-5-carboxylate Traditional Name: 2-(1,3-benzoxazol-2-ylamino)-4-[[(4-chlorophenyl)thio]methyl]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H17ClN4O3S MolecularWeight: 440.90268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1CSC2=CC=C(C=C2)Cl)NC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1CSC2=CC=C(C=C2)Cl)NC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H17ClN4O3S/c1-2-28-19(27)15-11-23-20(26-21-25-16-5-3-4-6-18(16)29-21)24-17(15)12-30-14-9-7-13(22)8-10-14/h3-11H,2,12H2,1H3,(H,23,24,25,26)