methyl 2-[1-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonylpiperidin-3-yl]ethanoate hydrochloride

Systemtic Name: methyl 2-[1-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonylpiperidin-3-yl]ethanoate hydrochloride Openeye Name: methyl 2-[1-[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]-3-piperidyl]acetate hydrochloride CAS Name: 2-[1-[[5-(4-carbamimidoylphenyl)-2-pyrimidinyl]-oxomethyl]-3-piperidinyl]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[1-[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]piperidin-3-yl]acetate hydrochloride Traditional Name: 2-[1-[5-(4-amidinophenyl)pyrimidine-2-carbonyl]-3-piperidyl]acetic acid methyl ester hydrochloride Formula: C20H24ClN5O3 MolecularWeight: 417.88926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCCN(C1)C(=O)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(=O)CC1CCCN(C1)C(=O)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C20H23N5O3.ClH/c1-28-17(26)9-13-3-2-8-25(12-13)20(27)19-23-10-16(11-24-19)14-4-6-15(7-5-14)18(21)22;/h4-7,10-11,13H,2-3,8-9,12H2,1H3,(H3,21,22);1H