methyl 3-[4-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonylpiperazin-1-yl]propanoate

Systemtic Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonylpiperazin-1-yl]propanoate Openeye Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]piperazin-1-yl]propanoate CAS Name: 3-[4-[[5-(4-carbamimidoylphenyl)-2-pyrimidinyl]-oxomethyl]-1-piperazinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]piperazin-1-yl]propanoate Traditional Name: 3-[4-[5-(4-amidinophenyl)pyrimidine-2-carbonyl]piperazino]propionic acid methyl ester Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCN(CC1)C(=O)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCN1CCN(CC1)C(=O)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H24N6O3/c1-29-17(27)6-7-25-8-10-26(11-9-25)20(28)19-23-12-16(13-24-19)14-2-4-15(5-3-14)18(21)22/h2-5,12-13H,6-11H2,1H3,(H3,21,22)