2-[[2-[carboxycarbonyl(propyl)amino]-6-piperidin-1-yl-5-propyl-pyrimidin-4-yl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[2-[carboxycarbonyl(propyl)amino]-6-piperidin-1-yl-5-propyl-pyrimidin-4-yl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[2-[oxalo(propyl)amino]-6-(1-piperidyl)-5-propyl-pyrimidin-4-yl]amino]-2-oxo-acetic acid CAS Name: 2-[[2-[oxalo(propyl)amino]-6-(1-piperidinyl)-5-propyl-4-pyrimidinyl]amino]-2-oxoacetic acid IUPAC Name: 2-[[2-[oxalo(propyl)amino]-6-piperidin-1-yl-5-propylpyrimidin-4-yl]amino]-2-oxoacetic acid Traditional Name: 2-keto-2-[[2-[oxalo(propyl)amino]-6-piperidino-5-propyl-pyrimidin-4-yl]amino]acetic acid Formula: C19H27N5O6 MolecularWeight: 421.44758

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(N=C1NC(=O)C(=O)O)N(CCC)C(=O)C(=O)O)N2CCCCC2

Isomeric SMILES

CCCC1=C(N=C(N=C1NC(=O)C(=O)O)N(CCC)C(=O)C(=O)O)N2CCCCC2

InChI

InChI=1S/C19H27N5O6/c1-3-8-12-13(20-15(25)17(27)28)21-19(24(9-4-2)16(26)18(29)30)22-14(12)23-10-6-5-7-11-23/h3-11H2,1-2H3,(H,27,28)(H,29,30)(H,20,21,22,25)