2-[[6-[bis(2-methoxyethyl)amino]-5-cyano-3-morpholin-4-yl-pyrazin-2-yl]carbonylamino]butanedioic acid

Systemtic Name: 2-[[6-[bis(2-methoxyethyl)amino]-5-cyano-3-morpholin-4-yl-pyrazin-2-yl]carbonylamino]butanedioic acid Openeye Name: 2-[[6-[bis(2-methoxyethyl)amino]-5-cyano-3-morpholino-pyrazine-2-carbonyl]amino]butanedioic acid CAS Name: 2-[[[6-[bis(2-methoxyethyl)amino]-5-cyano-3-(4-morpholinyl)-2-pyrazinyl]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[6-[bis(2-methoxyethyl)amino]-5-cyano-3-morpholin-4-ylpyrazine-2-carbonyl]amino]butanedioic acid Traditional Name: 2-[[6-[bis(2-methoxyethyl)amino]-5-cyano-3-morpholino-pyrazinoyl]amino]succinic acid Formula: C20H28N6O8 MolecularWeight: 480.47172

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)C1=C(N=C(C(=N1)C(=O)NC(CC(=O)O)C(=O)O)N2CCOCC2)C#N

Isomeric SMILES

COCCN(CCOC)C1=C(N=C(C(=N1)C(=O)NC(CC(=O)O)C(=O)O)N2CCOCC2)C#N

InChI

InChI=1S/C20H28N6O8/c1-32-7-3-25(4-8-33-2)17-14(12-21)22-18(26-5-9-34-10-6-26)16(24-17)19(29)23-13(20(30)31)11-15(27)28/h13H,3-11H2,1-2H3,(H,23,29)(H,27,28)(H,30,31)