ethyl (4R,5S,6E)-4-methyl-2-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethylidene)-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4R,5S,6E)-4-methyl-2-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethylidene)-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4R,5S,6E)-4-methyl-2-oxo-6-(pyrimidin-2-ylsulfanylmethylene)hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S,6E)-4-methyl-2-oxo-6-[(2-pyrimidinylthio)methylidene]-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S,6E)-4-methyl-2-oxo-6-(pyrimidin-2-ylsulfanylmethylidene)-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S,6E)-2-keto-4-methyl-6-[(2-pyrimidylthio)methylene]hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=O)NC1=CSC2=NC=CC=N2)C

Isomeric SMILES

CCOC(=O)[C@H]\1[C@H](NC(=O)N/C1=C/SC2=NC=CC=N2)C

InChI

InChI=1S/C13H16N4O3S/c1-3-20-11(18)10-8(2)16-12(19)17-9(10)7-21-13-14-5-4-6-15-13/h4-8,10H,3H2,1-2H3,(H2,16,17,19)/b9-7+/t8-,10+/m1/s1