2-[[4-[(5-azanyl-6-cyano-pyrazin-2-yl)methylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(5-azanyl-6-cyano-pyrazin-2-yl)methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(5-amino-6-cyano-pyrazin-2-yl)methylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(5-amino-6-cyano-2-pyrazinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(5-amino-6-cyanopyrazin-2-yl)methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(5-amino-6-cyano-pyrazin-2-yl)methylamino]benzoyl]amino]glutaric acid Formula: C18H18N6O5 MolecularWeight: 398.37272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C(C(=N2)C#N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C(C(=N2)C#N)N

InChI

InChI=1S/C18H18N6O5/c19-7-14-16(20)22-9-12(23-14)8-21-11-3-1-10(2-4-11)17(27)24-13(18(28)29)5-6-15(25)26/h1-4,9,13,21H,5-6,8H2,(H2,20,22)(H,24,27)(H,25,26)(H,28,29)