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

Systemtic Name: ethyl 4-[5-[(2-methoxypyrimidin-5-yl)methyl]-4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl]butanoate Openeye Name: ethyl 4-[5-[(2-methoxypyrimidin-5-yl)methyl]-4-oxo-2-thioxo-pyrimidin-1-yl]butanoate CAS Name: 4-[5-[(2-methoxy-5-pyrimidinyl)methyl]-4-oxo-2-sulfanylidene-1-pyrimidinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(2-methoxypyrimidin-5-yl)methyl]-4-oxo-2-sulfanylidenepyrimidin-1-yl]butanoate Traditional Name: 4-[4-keto-5-[(2-methoxypyrimidin-5-yl)methyl]-2-thioxo-pyrimidin-1-yl]butyric acid ethyl ester Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O4S/c1-3-24-13(21)5-4-6-20-10-12(14(22)19-16(20)25)7-11-8-17-15(23-2)18-9-11/h8-10H,3-7H2,1-2H3,(H,19,22,25)