2-[[5-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxy-pyridin-3-yl]amino]propanoic acid

Systemtic Name: 2-[[5-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxy-pyridin-3-yl]amino]propanoic acid Openeye Name: 2-[[5-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxy-3-pyridyl]amino]propanoic acid CAS Name: 2-[[5-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxy-3-pyridinyl]amino]propanoic acid IUPAC Name: 2-[[5-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxypyridin-3-yl]amino]propanoic acid Traditional Name: 2-[[5-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxy-3-pyridyl]amino]propionic acid Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CN=C3OCCC)NC(C)C(=O)O)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CN=C3OCCC)NC(C)C(=O)O)C

InChI

InChI=1S/C20H26N6O4/c1-5-7-14-15-16(26(4)25-14)18(27)24-17(23-15)13-9-12(22-11(3)20(28)29)10-21-19(13)30-8-6-2/h9-11,22H,5-8H2,1-4H3,(H,28,29)(H,23,24,27)