1-[5-chloranyl-6-[1-(4-methylsulfanylphenyl)ethylamino]pyrimidin-4-yl]ethyl ethanoate

Systemtic Name: 1-[5-chloranyl-6-[1-(4-methylsulfanylphenyl)ethylamino]pyrimidin-4-yl]ethyl ethanoate Openeye Name: 1-[5-chloro-6-[1-(4-methylsulfanylphenyl)ethylamino]pyrimidin-4-yl]ethyl acetate CAS Name: acetic acid 1-[5-chloro-6-[1-[4-(methylthio)phenyl]ethylamino]-4-pyrimidinyl]ethyl ester IUPAC Name: 1-[5-chloro-6-[1-(4-methylsulfanylphenyl)ethylamino]pyrimidin-4-yl]ethyl acetate Traditional Name: acetic acid 1-[5-chloro-6-[1-[4-(methylthio)phenyl]ethylamino]pyrimidin-4-yl]ethyl ester Formula: C17H20ClN3O2S MolecularWeight: 365.8776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)NC2=NC=NC(=C2Cl)C(C)OC(=O)C

Isomeric SMILES

CC(C1=CC=C(C=C1)SC)NC2=NC=NC(=C2Cl)C(C)OC(=O)C

InChI

InChI=1S/C17H20ClN3O2S/c1-10(13-5-7-14(24-4)8-6-13)21-17-15(18)16(19-9-20-17)11(2)23-12(3)22/h5-11H,1-4H3,(H,19,20,21)