ethyl 4-azanyl-2-[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(isopropylamino)-1-methyl-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(isopropylamino)-2-keto-1-methyl-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C13H20N4O3S MolecularWeight: 312.3879

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC(C)C(=O)NC(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SC(C)C(=O)NC(C)C

InChI

InChI=1S/C13H20N4O3S/c1-5-20-12(19)9-6-15-13(17-10(9)14)21-8(4)11(18)16-7(2)3/h6-8H,5H2,1-4H3,(H,16,18)(H2,14,15,17)