ethyl 3-[[4-[(5-azanylidene-6-cyano-4-oxidanyl-pyrazin-2-yl)methyl-methyl-amino]phenyl]carbonylamino]butanoate

Systemtic Name: ethyl 3-[[4-[(5-azanylidene-6-cyano-4-oxidanyl-pyrazin-2-yl)methyl-methyl-amino]phenyl]carbonylamino]butanoate Openeye Name: ethyl 3-[[4-[(6-cyano-4-hydroxy-5-imino-pyrazin-2-yl)methyl-methyl-amino]benzoyl]amino]butanoate CAS Name: 3-[[[4-[(6-cyano-4-hydroxy-5-imino-2-pyrazinyl)methyl-methylamino]phenyl]-oxomethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[(6-cyano-4-hydroxy-5-iminopyrazin-2-yl)methyl-methylamino]benzoyl]amino]butanoate Traditional Name: 3-[[4-[(6-cyano-4-hydroxy-5-imino-pyrazin-2-yl)methyl-methyl-amino]benzoyl]amino]butyric acid ethyl ester Formula: C20H24N6O4 MolecularWeight: 412.44236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN(C(=N)C(=N2)C#N)O

Isomeric SMILES

CCOC(=O)CC(C)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN(C(=N)C(=N2)C#N)O

InChI

InChI=1S/C20H24N6O4/c1-4-30-18(27)9-13(2)23-20(28)14-5-7-16(8-6-14)25(3)11-15-12-26(29)19(22)17(10-21)24-15/h5-8,12-13,22,29H,4,9,11H2,1-3H3,(H,23,28)