ethyl 2-[4-[(4-iodophenyl)amino]-2-methylsulfanyl-pyrimidin-5-yl]ethanoate

Systemtic Name: ethyl 2-[4-[(4-iodophenyl)amino]-2-methylsulfanyl-pyrimidin-5-yl]ethanoate Openeye Name: ethyl 2-[4-(4-iodoanilino)-2-methylsulfanyl-pyrimidin-5-yl]acetate CAS Name: 2-[4-(4-iodoanilino)-2-(methylthio)-5-pyrimidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-iodoanilino)-2-methylsulfanylpyrimidin-5-yl]acetate Traditional Name: 2-[4-(4-iodoanilino)-2-(methylthio)pyrimidin-5-yl]acetic acid ethyl ester Formula: C15H16IN3O2S MolecularWeight: 429.27591

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CN=C(N=C1NC2=CC=C(C=C2)I)SC

Isomeric SMILES

CCOC(=O)CC1=CN=C(N=C1NC2=CC=C(C=C2)I)SC

InChI

InChI=1S/C15H16IN3O2S/c1-3-21-13(20)8-10-9-17-15(22-2)19-14(10)18-12-6-4-11(16)5-7-12/h4-7,9H,3,8H2,1-2H3,(H,17,18,19)