methyl (2R)-2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylpropanoate

Systemtic Name: methyl (2R)-2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylpropanoate Openeye Name: methyl (2R)-2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylpropanoate CAS Name: (2R)-2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylpropanoate Traditional Name: (2R)-2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]propionic acid methyl ester Formula: C16H18ClN3O2S MolecularWeight: 351.85102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SC(C)C(=O)OC)N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)S[C@H](C)C(=O)OC)N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H18ClN3O2S/c1-4-12-13(10-5-7-11(17)8-6-10)14(18)20-16(19-12)23-9(2)15(21)22-3/h5-9H,4H2,1-3H3,(H2,18,19,20)/t9-/m1/s1