5-[5-(2-hydroxyethyloxymethyl)-2-propoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[5-(2-hydroxyethyloxymethyl)-2-propoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[5-(2-hydroxyethoxymethyl)-2-propoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[5-(2-hydroxyethoxymethyl)-2-propoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[5-(2-hydroxyethoxymethyl)-2-propoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[5-(2-hydroxyethoxymethyl)-2-propoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)COCCO)OCCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)COCCO)OCCC)C

InChI

InChI=1S/C21H28N4O4/c1-4-6-16-18-19(25(3)24-16)21(27)23-20(22-18)15-12-14(13-28-11-9-26)7-8-17(15)29-10-5-2/h7-8,12,26H,4-6,9-11,13H2,1-3H3,(H,22,23,27)