ethyl 4-[[4-oxidanylidene-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-1-yl]methyl]benzoate

Systemtic Name: ethyl 4-[[4-oxidanylidene-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-1-yl]methyl]benzoate Openeye Name: ethyl 4-[[4-oxo-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-1-yl]methyl]benzoate CAS Name: 4-[[4-oxo-5-(5-pyrimidinylmethyl)-2-sulfanylidene-1-pyrimidinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-oxo-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-keto-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-1-yl]methyl]benzoic acid ethyl ester Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN2C=C(C(=O)NC2=S)CC3=CN=CN=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN2C=C(C(=O)NC2=S)CC3=CN=CN=C3

InChI

InChI=1S/C19H18N4O3S/c1-2-26-18(25)15-5-3-13(4-6-15)10-23-11-16(17(24)22-19(23)27)7-14-8-20-12-21-9-14/h3-6,8-9,11-12H,2,7,10H2,1H3,(H,22,24,27)