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

Systemtic Name: methyl 2-[[5-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxy-pyridin-3-yl]amino]propanoate Openeye Name: methyl 2-[[5-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxy-3-pyridyl]amino]propanoate 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 methyl ester IUPAC Name: methyl 2-[[5-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxypyridin-3-yl]amino]propanoate 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 methyl ester Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O4/c1-6-8-15-16-17(27(4)26-15)19(28)25-18(24-16)14-10-13(23-12(3)21(29)30-5)11-22-20(14)31-9-7-2/h10-12,23H,6-9H2,1-5H3,(H,24,25,28)