1-methyl-3-(5-nitrofuran-2-yl)-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-methyl-3-(5-nitrofuran-2-yl)-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidine Openeye Name: 1-methyl-3-(5-nitro-2-furyl)-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-methyl-3-(5-nitro-2-furanyl)-4-(1-piperidinyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-methyl-3-(5-nitrofuran-2-yl)-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-methyl-3-(5-nitro-2-furyl)-4-piperidino-pyrazolo[3,4-d]pyrimidine Formula: C15H16N6O3 MolecularWeight: 328.32594

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=N1)C3=CC=C(O3)[N+](=O)[O-])C(=NC=N2)N4CCCCC4

Isomeric SMILES

CN1C2=C(C(=N1)C3=CC=C(O3)[N+](=O)[O-])C(=NC=N2)N4CCCCC4

InChI

InChI=1S/C15H16N6O3/c1-19-14-12(13(18-19)10-5-6-11(24-10)21(22)23)15(17-9-16-14)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8H2,1H3