methyl 3-chloranyl-4,6-bis(oxidanyl)-2-[5-oxidanylidene-5-(pyrazin-2-ylamino)pentyl]benzoate

Systemtic Name: methyl 3-chloranyl-4,6-bis(oxidanyl)-2-[5-oxidanylidene-5-(pyrazin-2-ylamino)pentyl]benzoate Openeye Name: methyl 3-chloro-4,6-dihydroxy-2-[5-oxo-5-(pyrazin-2-ylamino)pentyl]benzoate CAS Name: 3-chloro-4,6-dihydroxy-2-[5-oxo-5-(2-pyrazinylamino)pentyl]benzoic acid methyl ester IUPAC Name: methyl 3-chloro-4,6-dihydroxy-2-[5-oxo-5-(pyrazin-2-ylamino)pentyl]benzoate Traditional Name: 3-chloro-4,6-dihydroxy-2-[5-keto-5-(pyrazin-2-ylamino)pentyl]benzoic acid methyl ester Formula: C17H18ClN3O5 MolecularWeight: 379.79492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C=C1O)O)Cl)CCCCC(=O)NC2=NC=CN=C2

Isomeric SMILES

COC(=O)C1=C(C(=C(C=C1O)O)Cl)CCCCC(=O)NC2=NC=CN=C2

InChI

InChI=1S/C17H18ClN3O5/c1-26-17(25)15-10(16(18)12(23)8-11(15)22)4-2-3-5-14(24)21-13-9-19-6-7-20-13/h6-9,22-23H,2-5H2,1H3,(H,20,21,24)