(4-hydroxyphenyl) (2S)-2-azanyl-2-[[2-(4-chlorophenyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]ethanoate

Systemtic Name: (4-hydroxyphenyl) (2S)-2-azanyl-2-[[2-(4-chlorophenyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]ethanoate Openeye Name: (4-hydroxyphenyl) (2S)-2-amino-2-[[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]carbamoylamino]acetate CAS Name: (2S)-2-amino-2-[[[[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]amino]-oxomethyl]amino]acetic acid (4-hydroxyphenyl) ester IUPAC Name: (4-hydroxyphenyl) (2S)-2-amino-2-[[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]carbamoylamino]acetate Traditional Name: (2S)-2-amino-2-[[2-(4-chlorophenyl)-6-keto-1H-pyrimidin-5-yl]carbamoylamino]acetic acid (4-hydroxyphenyl) ester Formula: C19H16ClN5O5 MolecularWeight: 429.81384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC=C(C(=O)N2)NC(=O)NC(C(=O)OC3=CC=C(C=C3)O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NC=C(C(=O)N2)NC(=O)N[C@@H](C(=O)OC3=CC=C(C=C3)O)N)Cl

InChI

InChI=1S/C19H16ClN5O5/c20-11-3-1-10(2-4-11)16-22-9-14(17(27)25-16)23-19(29)24-15(21)18(28)30-13-7-5-12(26)6-8-13/h1-9,15,26H,21H2,(H,22,25,27)(H2,23,24,29)/t15-/m0/s1