2-[4-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonyl-2-oxidanylidene-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonyl-2-oxidanylidene-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[4-[[5-(4-carbamimidoylphenyl)-2-pyrimidinyl]-oxomethyl]-2-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]-2-oxopiperazin-1-yl]acetic acid Traditional Name: 2-[4-[5-(4-amidinophenyl)pyrimidine-2-carbonyl]-2-keto-piperazino]acetic acid Formula: C18H18N6O4 MolecularWeight: 382.37332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C(=O)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

C1CN(C(=O)CN1C(=O)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C18H18N6O4/c19-16(20)12-3-1-11(2-4-12)13-7-21-17(22-8-13)18(28)24-6-5-23(10-15(26)27)14(25)9-24/h1-4,7-8H,5-6,9-10H2,(H3,19,20)(H,26,27)