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

Systemtic Name: 2-[[5-methyl-4-(2-phenylazanylpyrimidin-4-yl)-1,2-oxazol-3-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[4-(2-anilinopyrimidin-4-yl)-5-methyl-isoxazol-3-yl]sulfanylethyl acetate CAS Name: acetic acid 2-[[4-(2-anilino-4-pyrimidinyl)-5-methyl-3-isoxazolyl]thio]ethyl ester IUPAC Name: 2-[[4-(2-anilinopyrimidin-4-yl)-5-methyl-1,2-oxazol-3-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[4-(2-anilinopyrimidin-4-yl)-5-methyl-isoxazol-3-yl]thio]ethyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)SCCOC(=O)C)C2=NC(=NC=C2)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)SCCOC(=O)C)C2=NC(=NC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O3S/c1-12-16(17(22-25-12)26-11-10-24-13(2)23)15-8-9-19-18(21-15)20-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3,(H,19,20,21)