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

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-(allylamino)-2-oxo-ethyl]sulfanyl-4-amino-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-(prop-2-enylamino)ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-(prop-2-enylamino)ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 2-[[2-(allylamino)-2-keto-ethyl]thio]-4-amino-pyrimidine-5-carboxylic acid ethyl ester Formula: C12H16N4O3S MolecularWeight: 296.34544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O3S/c1-3-5-14-9(17)7-20-12-15-6-8(10(13)16-12)11(18)19-4-2/h3,6H,1,4-5,7H2,2H3,(H,14,17)(H2,13,15,16)