methyl 4-[[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonyl-methyl-amino]butanoate hydrochloride

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)OC)C(=O)C1=NC=C(C=N1)C2=CC=C(C=C2)C(=N)N.Cl

Isomeric SMILES

CN(CCCC(=O)OC)C(=O)C1=NC=C(C=N1)C2=CC=C(C=C2)C(=N)N.Cl

InChI

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