sodium (2R)-3-[4-[2-(1,5-dimethyl-7-oxidanylidene-3-propyl-pyrazolo[4,3-d]pyrimidin-6-yl)ethoxy]phenyl]-2-ethoxy-propanoate

Systemtic Name: sodium (2R)-3-[4-[2-(1,5-dimethyl-7-oxidanylidene-3-propyl-pyrazolo[4,3-d]pyrimidin-6-yl)ethoxy]phenyl]-2-ethoxy-propanoate Openeye Name: sodium (2R)-3-[4-[2-(1,5-dimethyl-7-oxo-3-propyl-pyrazolo[4,3-d]pyrimidin-6-yl)ethoxy]phenyl]-2-ethoxy-propanoate CAS Name: sodium (2R)-3-[4-[2-(1,5-dimethyl-7-oxo-3-propyl-6-pyrazolo[4,3-d]pyrimidinyl)ethoxy]phenyl]-2-ethoxypropanoate IUPAC Name: sodium (2R)-3-[4-[2-(1,5-dimethyl-7-oxo-3-propylpyrazolo[4,3-d]pyrimidin-6-yl)ethoxy]phenyl]-2-ethoxypropanoate Traditional Name: sodium (2R)-2-ethoxy-3-[4-[2-(7-keto-1,5-dimethyl-3-propyl-pyrazolo[4,3-d]pyrimidin-6-yl)ethoxy]phenyl]propionate Formula: C23H29N4NaO5 MolecularWeight: 464.48993

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1N=C(N(C2=O)CCOC3=CC=C(C=C3)CC(C(=O)[O-])OCC)C)C.[Na+]

Isomeric SMILES

CCCC1=NN(C2=C1N=C(N(C2=O)CCOC3=CC=C(C=C3)C[C@H](C(=O)[O-])OCC)C)C.[Na+]

InChI

InChI=1S/C23H30N4O5.Na/c1-5-7-18-20-21(26(4)25-18)22(28)27(15(3)24-20)12-13-32-17-10-8-16(9-11-17)14-19(23(29)30)31-6-2;/h8-11,19H,5-7,12-14H2,1-4H3,(H,29,30);/q;+1/p-1/t19-;/m1./s1