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

Systemtic Name: ethyl 4-azanyl-2-[1-oxidanylidene-1-(phenethylamino)propan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[1-methyl-2-oxo-2-(phenethylamino)ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[1-oxo-1-(phenethylamino)propan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[1-oxo-1-(phenethylamino)propan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-1-methyl-2-(phenethylamino)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC(C)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SC(C)C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C18H22N4O3S/c1-3-25-17(24)14-11-21-18(22-15(14)19)26-12(2)16(23)20-10-9-13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3,(H,20,23)(H2,19,21,22)