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

Systemtic Name: 2-[4-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[[5-(4-carbamimidoylphenyl)-2-pyrimidinyl]-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[5-(4-amidinophenyl)pyrimidine-2-carbonyl]piperazino]acetic acid Formula: C18H20N6O3 MolecularWeight: 368.3898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H20N6O3/c19-16(20)13-3-1-12(2-4-13)14-9-21-17(22-10-14)18(27)24-7-5-23(6-8-24)11-15(25)26/h1-4,9-10H,5-8,11H2,(H3,19,20)(H,25,26)