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

Systemtic Name: methyl 4-[[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonylamino]butanoate hydrochloride Openeye Name: methyl 4-[[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]amino]butanoate hydrochloride CAS Name: 4-[[[5-(4-carbamimidoylphenyl)-2-pyrimidinyl]-oxomethyl]amino]butanoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]amino]butanoate hydrochloride Traditional Name: 4-[[5-(4-amidinophenyl)pyrimidine-2-carbonyl]amino]butyric acid methyl ester hydrochloride Formula: C17H20ClN5O3 MolecularWeight: 377.8254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O3.ClH/c1-25-14(23)3-2-8-20-17(24)16-21-9-13(10-22-16)11-4-6-12(7-5-11)15(18)19;/h4-7,9-10H,2-3,8H2,1H3,(H3,18,19)(H,20,24);1H