2-[2-[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]-2-methanoyl-1-methylsulfonyl-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[2-[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]-2-methanoyl-1-methylsulfonyl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[2-[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]-2-formyl-1-methylsulfonyl-pyrrolidin-3-yl]acetic acid CAS Name: 2-[2-[4-(5-carbamimidoyl-2-pyrimidinyl)phenyl]-2-formyl-1-methylsulfonyl-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[2-[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]-2-formyl-1-methylsulfonylpyrrolidin-3-yl]acetic acid Traditional Name: 2-[2-[4-(5-amidinopyrimidin-2-yl)phenyl]-2-formyl-1-mesyl-pyrrolidin-3-yl]acetic acid Formula: C19H21N5O5S MolecularWeight: 431.46554

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(C1(C=O)C2=CC=C(C=C2)C3=NC=C(C=N3)C(=N)N)CC(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCC(C1(C=O)C2=CC=C(C=C2)C3=NC=C(C=N3)C(=N)N)CC(=O)O

InChI

InChI=1S/C19H21N5O5S/c1-30(28,29)24-7-6-15(8-16(26)27)19(24,11-25)14-4-2-12(3-5-14)18-22-9-13(10-23-18)17(20)21/h2-5,9-11,15H,6-8H2,1H3,(H3,20,21)(H,26,27)