methyl 5-[[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonylamino]pentanoate hydrochloride

Systemtic Name: methyl 5-[[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonylamino]pentanoate hydrochloride Openeye Name: methyl 5-[[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]amino]pentanoate hydrochloride CAS Name: 5-[[[5-(4-carbamimidoylphenyl)-2-pyrimidinyl]-oxomethyl]amino]pentanoic acid methyl ester hydrochloride IUPAC Name: methyl 5-[[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]amino]pentanoate hydrochloride Traditional Name: 5-[[5-(4-amidinophenyl)pyrimidine-2-carbonyl]amino]valeric acid methyl ester hydrochloride Formula: C18H22ClN5O3 MolecularWeight: 391.85198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCNC(=O)C1=NC=C(C=N1)C2=CC=C(C=C2)C(=N)N.Cl

Isomeric SMILES

COC(=O)CCCCNC(=O)C1=NC=C(C=N1)C2=CC=C(C=C2)C(=N)N.Cl

InChI

InChI=1S/C18H21N5O3.ClH/c1-26-15(24)4-2-3-9-21-18(25)17-22-10-14(11-23-17)12-5-7-13(8-6-12)16(19)20;/h5-8,10-11H,2-4,9H2,1H3,(H3,19,20)(H,21,25);1H