2-[1-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonylpiperidin-3-yl]ethanoic acid

Systemtic Name: 2-[1-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonylpiperidin-3-yl]ethanoic acid Openeye Name: 2-[1-[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]-3-piperidyl]acetic acid CAS Name: 2-[1-[[5-(4-carbamimidoylphenyl)-2-pyrimidinyl]-oxomethyl]-3-piperidinyl]acetic acid IUPAC Name: 2-[1-[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]piperidin-3-yl]acetic acid Traditional Name: 2-[1-[5-(4-amidinophenyl)pyrimidine-2-carbonyl]-3-piperidyl]acetic acid Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C19H21N5O3/c20-17(21)14-5-3-13(4-6-14)15-9-22-18(23-10-15)19(27)24-7-1-2-12(11-24)8-16(25)26/h3-6,9-10,12H,1-2,7-8,11H2,(H3,20,21)(H,25,26)