ethyl 2-azanyl-3-[[5-methyl-4-(2-phenylazanylpyrimidin-4-yl)-1,2-oxazol-3-yl]sulfanyl]propanoate

Systemtic Name: ethyl 2-azanyl-3-[[5-methyl-4-(2-phenylazanylpyrimidin-4-yl)-1,2-oxazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 2-amino-3-[4-(2-anilinopyrimidin-4-yl)-5-methyl-isoxazol-3-yl]sulfanyl-propanoate CAS Name: 2-amino-3-[[4-(2-anilino-4-pyrimidinyl)-5-methyl-3-isoxazolyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-amino-3-[[4-(2-anilinopyrimidin-4-yl)-5-methyl-1,2-oxazol-3-yl]sulfanyl]propanoate Traditional Name: 2-amino-3-[[4-(2-anilinopyrimidin-4-yl)-5-methyl-isoxazol-3-yl]thio]propionic acid ethyl ester Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC1=NOC(=C1C2=NC(=NC=C2)NC3=CC=CC=C3)C)N

Isomeric SMILES

CCOC(=O)C(CSC1=NOC(=C1C2=NC(=NC=C2)NC3=CC=CC=C3)C)N

InChI

InChI=1S/C19H21N5O3S/c1-3-26-18(25)14(20)11-28-17-16(12(2)27-24-17)15-9-10-21-19(23-15)22-13-7-5-4-6-8-13/h4-10,14H,3,11,20H2,1-2H3,(H,21,22,23)