sodium (2S)-2-[[2-(2-methoxyethylamino)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]-2-phenylazanyl-ethanoate

Systemtic Name: sodium (2S)-2-[[2-(2-methoxyethylamino)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]-2-phenylazanyl-ethanoate Openeye Name: sodium (2S)-2-anilino-2-[[2-(2-methoxyethylamino)-6-oxo-1H-pyrimidin-5-yl]carbamoylamino]acetate CAS Name: sodium (2S)-2-anilino-2-[[[[2-(2-methoxyethylamino)-6-oxo-1H-pyrimidin-5-yl]amino]-oxomethyl]amino]acetate IUPAC Name: sodium (2S)-2-anilino-2-[[2-(2-methoxyethylamino)-6-oxo-1H-pyrimidin-5-yl]carbamoylamino]acetate Traditional Name: sodium (2S)-2-anilino-2-[[6-keto-2-(2-methoxyethylamino)-1H-pyrimidin-5-yl]carbamoylamino]acetate Formula: C16H19N6NaO5 MolecularWeight: 398.34903

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC=C(C(=O)N1)NC(=O)NC(C(=O)[O-])NC2=CC=CC=C2.[Na+]

Isomeric SMILES

COCCNC1=NC=C(C(=O)N1)NC(=O)N[C@@H](C(=O)[O-])NC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C16H20N6O5.Na/c1-27-8-7-17-15-18-9-11(13(23)22-15)20-16(26)21-12(14(24)25)19-10-5-3-2-4-6-10;/h2-6,9,12,19H,7-8H2,1H3,(H,24,25)(H2,20,21,26)(H2,17,18,22,23);/q;+1/p-1/t12-;/m0./s1