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

Systemtic Name: 4-oxidanylidene-4-[4-(1,3,5-trimethylpyrazolo[4,3-d]pyrimidin-7-yl)piperazin-1-yl]butanoate Openeye Name: 4-oxo-4-[4-(1,3,5-trimethylpyrazolo[4,3-d]pyrimidin-7-yl)piperazin-1-yl]butanoate CAS Name: 4-oxo-4-[4-(1,3,5-trimethyl-7-pyrazolo[4,3-d]pyrimidinyl)-1-piperazinyl]butanoate IUPAC Name: 4-oxo-4-[4-(1,3,5-trimethylpyrazolo[4,3-d]pyrimidin-7-yl)piperazin-1-yl]butanoate Traditional Name: 4-keto-4-[4-(1,3,5-trimethylpyrazolo[4,3-d]pyrimidin-7-yl)piperazino]butyrate Formula: C16H21N6O3- MolecularWeight: 345.37634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(N=C2N3CCN(CC3)C(=O)CCC(=O)[O-])C)C

Isomeric SMILES

CC1=NN(C2=C1N=C(N=C2N3CCN(CC3)C(=O)CCC(=O)[O-])C)C

InChI

InChI=1S/C16H22N6O3/c1-10-14-15(20(3)19-10)16(18-11(2)17-14)22-8-6-21(7-9-22)12(23)4-5-13(24)25/h4-9H2,1-3H3,(H,24,25)/p-1