(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 3-azanylpyrazine-2-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 3-azanylpyrazine-2-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C14H13N5O4S MolecularWeight: 347.34912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=NC=CN=C2N

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=NC=CN=C2N

InChI

InChI=1S/C14H13N5O4S/c1-2-22-14(21)10-8(7(5-15)12(17)24-10)6-23-13(20)9-11(16)19-4-3-18-9/h3-4H,2,6,17H2,1H3,(H2,16,19)