3-[[3-cyano-5-(diethylcarbamoyl)-4-methyl-thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[[3-cyano-5-(diethylcarbamoyl)-4-methyl-thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[[3-cyano-5-[diethylamino(oxo)methyl]-4-methyl-2-thiophenyl]amino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]carbamoyl]pyrazinoic acid Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=NC=CN=C2C(=O)O)C#N)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=NC=CN=C2C(=O)O)C#N)C

InChI

InChI=1S/C17H17N5O4S/c1-4-22(5-2)16(24)13-9(3)10(8-18)15(27-13)21-14(23)11-12(17(25)26)20-7-6-19-11/h6-7H,4-5H2,1-3H3,(H,21,23)(H,25,26)