2-[1-[5-(4-carbamimidoyl-2-chloranyl-phenyl)pyrimidin-2-yl]carbonylpiperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[5-(4-carbamimidoyl-2-chloranyl-phenyl)pyrimidin-2-yl]carbonylpiperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[5-(4-carbamimidoyl-2-chloro-phenyl)pyrimidine-2-carbonyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[[5-(4-carbamimidoyl-2-chlorophenyl)-2-pyrimidinyl]-oxomethyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[5-(4-carbamimidoyl-2-chlorophenyl)pyrimidine-2-carbonyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[5-(4-amidino-2-chloro-phenyl)pyrimidine-2-carbonyl]-4-piperidyl]acetic acid Formula: C19H20ClN5O3 MolecularWeight: 401.8468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(=O)O)C(=O)C2=NC=C(C=N2)C3=C(C=C(C=C3)C(=N)N)Cl

Isomeric SMILES

C1CN(CCC1CC(=O)O)C(=O)C2=NC=C(C=N2)C3=C(C=C(C=C3)C(=N)N)Cl

InChI

InChI=1S/C19H20ClN5O3/c20-15-8-12(17(21)22)1-2-14(15)13-9-23-18(24-10-13)19(28)25-5-3-11(4-6-25)7-16(26)27/h1-2,8-11H,3-7H2,(H3,21,22)(H,26,27)