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

Systemtic Name: 2-[2-[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]-1-(dimethylcarbamoyl)-2-methanoyl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[2-[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]-1-(dimethylcarbamoyl)-2-formyl-pyrrolidin-3-yl]acetic acid CAS Name: 2-[2-[4-(5-carbamimidoyl-2-pyrimidinyl)phenyl]-1-[dimethylamino(oxo)methyl]-2-formyl-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[2-[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]-1-(dimethylcarbamoyl)-2-formylpyrrolidin-3-yl]acetic acid Traditional Name: 2-[2-[4-(5-amidinopyrimidin-2-yl)phenyl]-1-(dimethylcarbamoyl)-2-formyl-pyrrolidin-3-yl]acetic acid Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O4/c1-26(2)20(31)27-8-7-16(9-17(29)30)21(27,12-28)15-5-3-13(4-6-15)19-24-10-14(11-25-19)18(22)23/h3-6,10-12,16H,7-9H2,1-2H3,(H3,22,23)(H,29,30)