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

Systemtic Name: methyl 3-[[5-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxy-pyridin-3-yl]amino]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[[5-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxy-3-pyridyl]amino]-3-oxo-propanoate CAS Name: 3-[[5-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxy-3-pyridinyl]amino]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[[5-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxypyridin-3-yl]amino]-3-oxopropanoate Traditional Name: 3-keto-3-[[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: C21H26N6O5 MolecularWeight: 442.46834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O5/c1-5-7-14-17-18(27(3)26-14)20(30)25-19(24-17)13-9-12(11-22-21(13)32-8-6-2)23-15(28)10-16(29)31-4/h9,11H,5-8,10H2,1-4H3,(H,23,28)(H,24,25,30)