4-[4-(5-ethyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)piperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[4-(5-ethyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-(5-ethyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(5-ethyl-1,3-dimethyl-7-pyrazolo[4,3-d]pyrimidinyl)-1-piperazinyl]-4-oxobutanoate IUPAC Name: 4-[4-(5-ethyl-1,3-dimethylpyrazolo[4,3-d]pyrimidin-7-yl)piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(5-ethyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)piperazino]-4-keto-butyrate Formula: C17H23N6O3- MolecularWeight: 359.40292

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)N3CCN(CC3)C(=O)CCC(=O)[O-])N(N=C2C)C

Isomeric SMILES

CCC1=NC2=C(C(=N1)N3CCN(CC3)C(=O)CCC(=O)[O-])N(N=C2C)C

InChI

InChI=1S/C17H24N6O3/c1-4-12-18-15-11(2)20-21(3)16(15)17(19-12)23-9-7-22(8-10-23)13(24)5-6-14(25)26/h4-10H2,1-3H3,(H,25,26)/p-1