methyl 2-[1-[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]carbonylpiperidin-4-yl]ethanoate hydrochloride

Systemtic Name: methyl 2-[1-[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]carbonylpiperidin-4-yl]ethanoate hydrochloride Openeye Name: methyl 2-[1-[4-(5-carbamimidoylpyrimidin-2-yl)benzoyl]-4-piperidyl]acetate hydrochloride CAS Name: 2-[1-[[4-(5-carbamimidoyl-2-pyrimidinyl)phenyl]-oxomethyl]-4-piperidinyl]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[1-[4-(5-carbamimidoylpyrimidin-2-yl)benzoyl]piperidin-4-yl]acetate hydrochloride Traditional Name: 2-[1-[4-(5-amidinopyrimidin-2-yl)benzoyl]-4-piperidyl]acetic acid methyl ester hydrochloride Formula: C20H24ClN5O3 MolecularWeight: 417.88926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)C(=N)N.Cl

Isomeric SMILES

COC(=O)CC1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)C(=N)N.Cl

InChI

InChI=1S/C20H23N5O3.ClH/c1-28-17(26)10-13-6-8-25(9-7-13)20(27)15-4-2-14(3-5-15)19-23-11-16(12-24-19)18(21)22;/h2-5,11-13H,6-10H2,1H3,(H3,21,22);1H