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

Systemtic Name: 5-[5-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxy-pyridin-3-yl]-1,2-oxazol-3-one Openeye Name: 5-[5-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxy-3-pyridyl]isoxazol-3-one CAS Name: 5-[5-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxy-3-pyridinyl]-3-isoxazolone IUPAC Name: 5-[5-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxypyridin-3-yl]-1,2-oxazol-3-one Traditional Name: 5-[5-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxy-3-pyridyl]-4-isoxazolin-3-one Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(N=CC(=C3)C4=CC(=O)NO4)OCCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(N=CC(=C3)C4=CC(=O)NO4)OCCC)C

InChI

InChI=1S/C20H22N6O4/c1-4-6-13-16-17(26(3)24-13)19(28)23-18(22-16)12-8-11(14-9-15(27)25-30-14)10-21-20(12)29-7-5-2/h8-10H,4-7H2,1-3H3,(H,25,27)(H,22,23,28)