ethyl 2-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]furan-3-carboxylate Openeye Name: ethyl 2-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methyl]furan-3-carboxylic acid ethyl ester Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)CN2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)CN2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C18H22N6O3/c1-3-26-18(25)13-4-9-27-15(13)11-23-5-7-24(8-6-23)17-14-10-21-22(2)16(14)19-12-20-17/h4,9-10,12H,3,5-8,11H2,1-2H3