4-[[4-methoxy-3-(pyrazin-2-ylcarbamoylamino)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-methoxy-3-(pyrazin-2-ylcarbamoylamino)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-methoxy-3-(pyrazin-2-ylcarbamoylamino)anilino]-4-oxo-butanoic acid CAS Name: 4-[4-methoxy-3-[[oxo-(2-pyrazinylamino)methyl]amino]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-methoxy-3-(pyrazin-2-ylcarbamoylamino)anilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-methoxy-3-(pyrazin-2-ylcarbamoylamino)anilino]butyric acid Formula: C16H17N5O5 MolecularWeight: 359.33668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCC(=O)O)NC(=O)NC2=NC=CN=C2

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCC(=O)O)NC(=O)NC2=NC=CN=C2

InChI

InChI=1S/C16H17N5O5/c1-26-12-3-2-10(19-14(22)4-5-15(23)24)8-11(12)20-16(25)21-13-9-17-6-7-18-13/h2-3,6-9H,4-5H2,1H3,(H,19,22)(H,23,24)(H2,18,20,21,25)