3-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propanoic acid

Systemtic Name: 3-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propanoic acid Openeye Name: 3-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propanoic acid CAS Name: 3-cyclohexyl-2-[[2-(methylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]propanoic acid Traditional Name: 3-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propionic acid Formula: C18H25N5O2 MolecularWeight: 343.4234

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)O)N3C=CC=C3

Isomeric SMILES

CNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)O)N3C=CC=C3

InChI

InChI=1S/C18H25N5O2/c1-19-18-21-15(12-16(22-18)23-9-5-6-10-23)20-14(17(24)25)11-13-7-3-2-4-8-13/h5-6,9-10,12-14H,2-4,7-8,11H2,1H3,(H,24,25)(H2,19,20,21,22)