methyl 2-[4-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonyl-2-oxidanylidene-piperazin-1-yl]ethanoate hydrochloride

Systemtic Name: methyl 2-[4-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonyl-2-oxidanylidene-piperazin-1-yl]ethanoate hydrochloride Openeye Name: methyl 2-[4-[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]-2-oxo-piperazin-1-yl]acetate hydrochloride CAS Name: 2-[4-[[5-(4-carbamimidoylphenyl)-2-pyrimidinyl]-oxomethyl]-2-oxo-1-piperazinyl]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[4-[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]-2-oxopiperazin-1-yl]acetate hydrochloride Traditional Name: 2-[4-[5-(4-amidinophenyl)pyrimidine-2-carbonyl]-2-keto-piperazino]acetic acid methyl ester hydrochloride Formula: C19H21ClN6O4 MolecularWeight: 432.86084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O4.ClH/c1-29-16(27)11-24-6-7-25(10-15(24)26)19(28)18-22-8-14(9-23-18)12-2-4-13(5-3-12)17(20)21;/h2-5,8-9H,6-7,10-11H2,1H3,(H3,20,21);1H