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

Systemtic Name: 3-[2-[[(4-carbamimidoylphenyl)amino]methyl]-5-methyl-thiophen-3-yl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid Openeye Name: 3-[2-[(4-carbamimidoylanilino)methyl]-5-methyl-3-thienyl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid CAS Name: 3-[2-[(4-carbamimidoylanilino)methyl]-5-methyl-3-thiophenyl]-6-(methylcarbamoyl)-2-pyridinecarboxylic acid IUPAC Name: 3-[2-[(4-carbamimidoylanilino)methyl]-5-methylthiophen-3-yl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid Traditional Name: 3-[2-[(4-amidinoanilino)methyl]-5-methyl-3-thienyl]-6-(methylcarbamoyl)picolinic acid Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)CNC2=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)CNC2=CC=C(C=C2)C(=N)N)C3=C(N=C(C=C3)C(=O)NC)C(=O)O

InChI

InChI=1S/C21H21N5O3S/c1-11-9-15(14-7-8-16(20(27)24-2)26-18(14)21(28)29)17(30-11)10-25-13-5-3-12(4-6-13)19(22)23/h3-9,25H,10H2,1-2H3,(H3,22,23)(H,24,27)(H,28,29)