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

Systemtic Name: ethyl 4-azanyl-2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]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)NC2CC2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2CC2

InChI

InChI=1S/C12H16N4O3S/c1-2-19-11(18)8-5-14-12(16-10(8)13)20-6-9(17)15-7-3-4-7/h5,7H,2-4,6H2,1H3,(H,15,17)(H2,13,14,16)