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

Systemtic Name: 3-[[5-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxy-pyridin-3-yl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[5-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxy-3-pyridyl]amino]-3-oxo-propanoic acid 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 IUPAC Name: 3-[[5-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxypyridin-3-yl]amino]-3-oxopropanoic acid 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 Formula: C20H24N6O5 MolecularWeight: 428.44176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O5/c1-4-6-13-16-17(26(3)25-13)19(30)24-18(23-16)12-8-11(22-14(27)9-15(28)29)10-21-20(12)31-7-5-2/h8,10H,4-7,9H2,1-3H3,(H,22,27)(H,28,29)(H,23,24,30)