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

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-(propylamino)ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-oxo-2-(propylamino)ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-(propylamino)ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-(propylamino)ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(propylamino)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C12H18N4O3S MolecularWeight: 298.36132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O3S/c1-3-5-14-9(17)7-20-12-15-6-8(10(13)16-12)11(18)19-4-2/h6H,3-5,7H2,1-2H3,(H,14,17)(H2,13,15,16)