ethyl 4-azanyl-2-[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-(allylcarbamoylamino)-2-oxo-ethyl]sulfanyl-4-amino-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 2-[[2-(allylcarbamoylamino)-2-keto-ethyl]thio]-4-amino-pyrimidine-5-carboxylic acid ethyl ester Formula: C13H17N5O4S MolecularWeight: 339.37018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC(=O)NCC=C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC(=O)NCC=C

InChI

InChI=1S/C13H17N5O4S/c1-3-5-15-12(21)17-9(19)7-23-13-16-6-8(10(14)18-13)11(20)22-4-2/h3,6H,1,4-5,7H2,2H3,(H2,14,16,18)(H2,15,17,19,21)