pyridin-3-ylmethyl 2-[1-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]carbonylpiperidin-4-yl]ethanoate

Systemtic Name: pyridin-3-ylmethyl 2-[1-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]carbonylpiperidin-4-yl]ethanoate Openeye Name: 3-pyridylmethyl 2-[1-[2-(4-carbamimidoylphenyl)pyrimidine-5-carbonyl]-4-piperidyl]acetate CAS Name: 2-[1-[[2-(4-carbamimidoylphenyl)-5-pyrimidinyl]-oxomethyl]-4-piperidinyl]acetic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 2-[1-[2-(4-carbamimidoylphenyl)pyrimidine-5-carbonyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[2-(4-amidinophenyl)pyrimidine-5-carbonyl]-4-piperidyl]acetic acid 3-pyridylmethyl ester Formula: C25H26N6O3 MolecularWeight: 458.51234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(=O)OCC2=CN=CC=C2)C(=O)C3=CN=C(N=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CN(CCC1CC(=O)OCC2=CN=CC=C2)C(=O)C3=CN=C(N=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H26N6O3/c26-23(27)19-3-5-20(6-4-19)24-29-14-21(15-30-24)25(33)31-10-7-17(8-11-31)12-22(32)34-16-18-2-1-9-28-13-18/h1-6,9,13-15,17H,7-8,10-12,16H2,(H3,26,27)