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

Systemtic Name: 2-[1-[2-(4-carbamimidoylphenyl)-1-methyl-6-oxidanylidene-pyrimidin-5-yl]carbonylpiperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[2-(4-carbamimidoylphenyl)-1-methyl-6-oxo-pyrimidine-5-carbonyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[[2-(4-carbamimidoylphenyl)-1-methyl-6-oxo-5-pyrimidinyl]-oxomethyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[2-(4-carbamimidoylphenyl)-1-methyl-6-oxopyrimidine-5-carbonyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[2-(4-amidinophenyl)-6-keto-1-methyl-pyrimidine-5-carbonyl]-4-piperidyl]acetic acid Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O4/c1-24-18(14-4-2-13(3-5-14)17(21)22)23-11-15(19(24)28)20(29)25-8-6-12(7-9-25)10-16(26)27/h2-5,11-12H,6-10H2,1H3,(H3,21,22)(H,26,27)