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

Systemtic Name: ethyl 4-azanyl-2-[2-(ethylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(ethylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(ethylamino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(ethylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(ethylamino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C11H16N4O3S MolecularWeight: 284.33474

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CSC1=NC=C(C(=N1)N)C(=O)OCC

Isomeric SMILES

CCNC(=O)CSC1=NC=C(C(=N1)N)C(=O)OCC

InChI

InChI=1S/C11H16N4O3S/c1-3-13-8(16)6-19-11-14-5-7(9(12)15-11)10(17)18-4-2/h5H,3-4,6H2,1-2H3,(H,13,16)(H2,12,14,15)