methyl 3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzoate CAS Name: 3-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzoate Traditional Name: 3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methyl]benzoic acid methyl ester Formula: C19H22N6O2 MolecularWeight: 366.41698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C19H22N6O2/c1-23-17-16(11-22-23)18(21-13-20-17)25-8-6-24(7-9-25)12-14-4-3-5-15(10-14)19(26)27-2/h3-5,10-11,13H,6-9,12H2,1-2H3