methyl 2-[1-[2-(4-carbamimidoylphenyl)-1-methyl-6-oxidanylidene-pyrimidin-5-yl]carbonylpiperidin-4-yl]ethanoate hydrochloride

Systemtic Name: methyl 2-[1-[2-(4-carbamimidoylphenyl)-1-methyl-6-oxidanylidene-pyrimidin-5-yl]carbonylpiperidin-4-yl]ethanoate hydrochloride Openeye Name: methyl 2-[1-[2-(4-carbamimidoylphenyl)-1-methyl-6-oxo-pyrimidine-5-carbonyl]-4-piperidyl]acetate hydrochloride CAS Name: 2-[1-[[2-(4-carbamimidoylphenyl)-1-methyl-6-oxo-5-pyrimidinyl]-oxomethyl]-4-piperidinyl]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[1-[2-(4-carbamimidoylphenyl)-1-methyl-6-oxopyrimidine-5-carbonyl]piperidin-4-yl]acetate hydrochloride Traditional Name: 2-[1-[2-(4-amidinophenyl)-6-keto-1-methyl-pyrimidine-5-carbonyl]-4-piperidyl]acetic acid methyl ester hydrochloride Formula: C21H26ClN5O4 MolecularWeight: 447.91524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC=C(C1=O)C(=O)N2CCC(CC2)CC(=O)OC)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

CN1C(=NC=C(C1=O)C(=O)N2CCC(CC2)CC(=O)OC)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C21H25N5O4.ClH/c1-25-19(15-5-3-14(4-6-15)18(22)23)24-12-16(20(25)28)21(29)26-9-7-13(8-10-26)11-17(27)30-2;/h3-6,12-13H,7-11H2,1-2H3,(H3,22,23);1H