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2-[3-cyano-6-(isoquinolin-3-ylamino)pyrazin-2-yl]oxyethanoic acid

2-[3-cyano-6-(isoquinolin-3-ylamino)pyrazin-2-yl]oxyethanoic acid

Systemtic Name:2-[3-cyano-6-(isoquinolin-3-ylamino)pyrazin-2-yl]oxyethanoic acid
Openeye Name:2-[3-cyano-6-(3-isoquinolylamino)pyrazin-2-yl]oxyacetic acid
CAS Name:2-[[3-cyano-6-(3-isoquinolinylamino)-2-pyrazinyl]oxy]acetic acid
IUPAC Name:2-[3-cyano-6-(isoquinolin-3-ylamino)pyrazin-2-yl]oxyacetic acid
Traditional Name:2-[3-cyano-6-(3-isoquinolylamino)pyrazin-2-yl]oxyacetic acid
Formula: C16H11N5O3
MolecularWeight: 321.29024
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)NC3=CN=C(C(=N3)OCC(=O)O)C#N


Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)NC3=CN=C(C(=N3)OCC(=O)O)C#N


InChI

InChI=1S/C16H11N5O3/c17-6-12-16(24-9-15(22)23)21-14(8-18-12)20-13-5-10-3-1-2-4-11(10)7-19-13/h1-5,7-8H,9H2,(H,22,23)(H,19,20,21)


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