3-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-methyl-thiophen-3-yl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid

Systemtic Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-methyl-thiophen-3-yl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid Openeye Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-methyl-3-thienyl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid CAS Name: 3-[2-[(4-carbamimidoylanilino)-oxomethyl]-5-methyl-3-thiophenyl]-6-(methylcarbamoyl)-2-pyridinecarboxylic acid IUPAC Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-methylthiophen-3-yl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid Traditional Name: 3-[2-[(4-amidinophenyl)carbamoyl]-5-methyl-3-thienyl]-6-(methylcarbamoyl)picolinic acid Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C(=O)NC2=CC=C(C=C2)C(=N)N)C3=C(N=C(C=C3)C(=O)NC)C(=O)O

Isomeric SMILES

CC1=CC(=C(S1)C(=O)NC2=CC=C(C=C2)C(=N)N)C3=C(N=C(C=C3)C(=O)NC)C(=O)O

InChI

InChI=1S/C21H19N5O4S/c1-10-9-14(13-7-8-15(19(27)24-2)26-16(13)21(29)30)17(31-10)20(28)25-12-5-3-11(4-6-12)18(22)23/h3-9H,1-2H3,(H3,22,23)(H,24,27)(H,25,28)(H,29,30)