ethyl 4-[5-[(1-methylpyrazol-4-yl)methyl]-4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl]butanoate

Systemtic Name: ethyl 4-[5-[(1-methylpyrazol-4-yl)methyl]-4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl]butanoate Openeye Name: ethyl 4-[5-[(1-methylpyrazol-4-yl)methyl]-4-oxo-2-thioxo-pyrimidin-1-yl]butanoate CAS Name: 4-[5-[(1-methyl-4-pyrazolyl)methyl]-4-oxo-2-sulfanylidene-1-pyrimidinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(1-methylpyrazol-4-yl)methyl]-4-oxo-2-sulfanylidenepyrimidin-1-yl]butanoate Traditional Name: 4-[4-keto-5-[(1-methylpyrazol-4-yl)methyl]-2-thioxo-pyrimidin-1-yl]butyric acid ethyl ester Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=C(C(=O)NC1=S)CC2=CN(N=C2)C

Isomeric SMILES

CCOC(=O)CCCN1C=C(C(=O)NC1=S)CC2=CN(N=C2)C

InChI

InChI=1S/C15H20N4O3S/c1-3-22-13(20)5-4-6-19-10-12(14(21)17-15(19)23)7-11-8-16-18(2)9-11/h8-10H,3-7H2,1-2H3,(H,17,21,23)