ethyl 4-azanyl-2-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N[C@H](C)C2=CC=CC=C2

InChI

InChI=1S/C17H20N4O3S/c1-3-24-16(23)13-9-19-17(21-15(13)18)25-10-14(22)20-11(2)12-7-5-4-6-8-12/h4-9,11H,3,10H2,1-2H3,(H,20,22)(H2,18,19,21)/t11-/m1/s1