ethyl 4-[(5-azanylidene-6-cyano-4-oxidanyl-pyrazin-2-yl)methyl-methyl-amino]benzoate

Systemtic Name: ethyl 4-[(5-azanylidene-6-cyano-4-oxidanyl-pyrazin-2-yl)methyl-methyl-amino]benzoate Openeye Name: ethyl 4-[(6-cyano-4-hydroxy-5-imino-pyrazin-2-yl)methyl-methyl-amino]benzoate CAS Name: 4-[(6-cyano-4-hydroxy-5-imino-2-pyrazinyl)methyl-methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-cyano-4-hydroxy-5-iminopyrazin-2-yl)methyl-methylamino]benzoate Traditional Name: 4-[(6-cyano-4-hydroxy-5-imino-pyrazin-2-yl)methyl-methyl-amino]benzoic acid ethyl ester Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O3/c1-3-24-16(22)11-4-6-13(7-5-11)20(2)9-12-10-21(23)15(18)14(8-17)19-12/h4-7,10,18,23H,3,9H2,1-2H3