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

Systemtic Name: methyl 2-[4-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonylpiperazin-1-yl]ethanoate hydrochloride Openeye Name: methyl 2-[4-[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]piperazin-1-yl]acetate hydrochloride CAS Name: 2-[4-[[5-(4-carbamimidoylphenyl)-2-pyrimidinyl]-oxomethyl]-1-piperazinyl]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[4-[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]piperazin-1-yl]acetate hydrochloride Traditional Name: 2-[4-[5-(4-amidinophenyl)pyrimidine-2-carbonyl]piperazino]acetic acid methyl ester hydrochloride Formula: C19H23ClN6O3 MolecularWeight: 418.87732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CCN(CC1)C(=O)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(=O)CN1CCN(CC1)C(=O)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C19H22N6O3.ClH/c1-28-16(26)12-24-6-8-25(9-7-24)19(27)18-22-10-15(11-23-18)13-2-4-14(5-3-13)17(20)21;/h2-5,10-11H,6-9,12H2,1H3,(H3,20,21);1H