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methyl 4-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate

methyl 4-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name:methyl 4-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate
Openeye Name:methyl 4-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate
CAS Name:4-[[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester
IUPAC Name:methyl 4-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate
Traditional Name:4-[[(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester
Formula: C16H18N2O3S
MolecularWeight: 318.39072
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)C(=O)OC)C


Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)C(=O)OC)C


InChI

InChI=1S/C16H18N2O3S/c1-4-13-10(2)17-16(18-14(13)19)22-9-11-5-7-12(8-6-11)15(20)21-3/h5-8H,4,9H2,1-3H3,(H,17,18,19)


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