methyl 2-[1-[5-(4-carbamimidoyl-3-fluoranyl-phenyl)pyrimidin-2-yl]carbonylpiperidin-4-yl]ethanoate

Systemtic Name: methyl 2-[1-[5-(4-carbamimidoyl-3-fluoranyl-phenyl)pyrimidin-2-yl]carbonylpiperidin-4-yl]ethanoate Openeye Name: methyl 2-[1-[5-(4-carbamimidoyl-3-fluoro-phenyl)pyrimidine-2-carbonyl]-4-piperidyl]acetate CAS Name: 2-[1-[[5-(4-carbamimidoyl-3-fluorophenyl)-2-pyrimidinyl]-oxomethyl]-4-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[5-(4-carbamimidoyl-3-fluorophenyl)pyrimidine-2-carbonyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[5-(4-amidino-3-fluoro-phenyl)pyrimidine-2-carbonyl]-4-piperidyl]acetic acid methyl ester Formula: C20H22FN5O3 MolecularWeight: 399.418783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCN(CC1)C(=O)C2=NC=C(C=N2)C3=CC(=C(C=C3)C(=N)N)F

Isomeric SMILES

COC(=O)CC1CCN(CC1)C(=O)C2=NC=C(C=N2)C3=CC(=C(C=C3)C(=N)N)F

InChI

InChI=1S/C20H22FN5O3/c1-29-17(27)8-12-4-6-26(7-5-12)20(28)19-24-10-14(11-25-19)13-2-3-15(18(22)23)16(21)9-13/h2-3,9-12H,4-8H2,1H3,(H3,22,23)