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

Systemtic Name: methyl 2-[1-[5-(4-carbamimidoyl-2-chloranyl-phenyl)pyrimidin-2-yl]carbonylpiperidin-4-yl]ethanoate Openeye Name: methyl 2-[1-[5-(4-carbamimidoyl-2-chloro-phenyl)pyrimidine-2-carbonyl]-4-piperidyl]acetate CAS Name: 2-[1-[[5-(4-carbamimidoyl-2-chlorophenyl)-2-pyrimidinyl]-oxomethyl]-4-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[5-(4-carbamimidoyl-2-chlorophenyl)pyrimidine-2-carbonyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[5-(4-amidino-2-chloro-phenyl)pyrimidine-2-carbonyl]-4-piperidyl]acetic acid methyl ester Formula: C20H22ClN5O3 MolecularWeight: 415.87338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN5O3/c1-29-17(27)8-12-4-6-26(7-5-12)20(28)19-24-10-14(11-25-19)15-3-2-13(18(22)23)9-16(15)21/h2-3,9-12H,4-8H2,1H3,(H3,22,23)