ethyl 4-[(3-hydroxyphenyl)amino]-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(3-hydroxyphenyl)amino]-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-4-(3-hydroxyanilino)pyrimidine-5-carboxylate CAS Name: 4-(3-hydroxyanilino)-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-4-(3-hydroxyanilino)pyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-4-(3-hydroxyanilino)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)O)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)O)SCC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O3S/c1-2-26-19(25)17-12-21-20(27-13-14-7-4-3-5-8-14)23-18(17)22-15-9-6-10-16(24)11-15/h3-12,24H,2,13H2,1H3,(H,21,22,23)