(4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl 3-[(4-methylpiperazin-1-yl)methyl]benzoate

Systemtic Name: (4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl 3-[(4-methylpiperazin-1-yl)methyl]benzoate Openeye Name: (4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl 3-[(4-methylpiperazin-1-yl)methyl]benzoate CAS Name: 3-[(4-methyl-1-piperazinyl)methyl]benzoic acid (4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl ester IUPAC Name: (4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl 3-[(4-methylpiperazin-1-yl)methyl]benzoate Traditional Name: 3-[(4-methylpiperazino)methyl]benzoic acid (4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl ester Formula: C19H22N6O3 MolecularWeight: 382.41638

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=CC(=C2)C(=O)OCN3C4=NC=NC(=O)C4=CN3

Isomeric SMILES

CN1CCN(CC1)CC2=CC=CC(=C2)C(=O)OCN3C4=NC=NC(=O)C4=CN3

InChI

InChI=1S/C19H22N6O3/c1-23-5-7-24(8-6-23)11-14-3-2-4-15(9-14)19(27)28-13-25-17-16(10-22-25)18(26)21-12-20-17/h2-4,9-10,12,22H,5-8,11,13H2,1H3