(phenylmethyl) 2-[7-oxidanylidene-5-(2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[7-oxidanylidene-5-(2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-1-yl]ethanoate Openeye Name: benzyl 2-[7-oxo-5-(2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-1-yl]acetate CAS Name: 2-[7-oxo-5-(2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[7-oxo-5-(2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-1-yl]acetate Traditional Name: 2-[7-keto-5-(2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-1-yl]acetic acid benzyl ester Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC=CC=C3OCCC)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC=CC=C3OCCC)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O4/c1-3-10-20-23-24(30(29-20)16-22(31)34-17-18-11-6-5-7-12-18)26(32)28-25(27-23)19-13-8-9-14-21(19)33-15-4-2/h5-9,11-14H,3-4,10,15-17H2,1-2H3,(H,27,28,32)