2-[1-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonylpiperidin-4-ylidene]ethanoic acid

Systemtic Name: 2-[1-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonylpiperidin-4-ylidene]ethanoic acid Openeye Name: 2-[1-[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]-4-piperidylidene]acetic acid CAS Name: 2-[1-[[5-(4-carbamimidoylphenyl)-2-pyrimidinyl]-oxomethyl]-4-piperidinylidene]acetic acid IUPAC Name: 2-[1-[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]piperidin-4-ylidene]acetic acid Traditional Name: 2-[1-[5-(4-amidinophenyl)pyrimidine-2-carbonyl]-4-piperidylidene]acetic acid Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=CC(=O)O)C(=O)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1=CC(=O)O)C(=O)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H19N5O3/c20-17(21)14-3-1-13(2-4-14)15-10-22-18(23-11-15)19(27)24-7-5-12(6-8-24)9-16(25)26/h1-4,9-11H,5-8H2,(H3,20,21)(H,25,26)