4-chloranyl-1-methyl-3-(5-nitrofuran-2-yl)-6-propan-2-yl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-chloranyl-1-methyl-3-(5-nitrofuran-2-yl)-6-propan-2-yl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-chloro-6-isopropyl-1-methyl-3-(5-nitro-2-furyl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-chloro-1-methyl-3-(5-nitro-2-furanyl)-6-propan-2-ylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-chloro-1-methyl-3-(5-nitrofuran-2-yl)-6-propan-2-ylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-chloro-6-isopropyl-1-methyl-3-(5-nitro-2-furyl)pyrazolo[3,4-d]pyrimidine Formula: C13H12ClN5O3 MolecularWeight: 321.71908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C(=NN2C)C3=CC=C(O3)[N+](=O)[O-])C(=N1)Cl

Isomeric SMILES

CC(C)C1=NC2=C(C(=NN2C)C3=CC=C(O3)[N+](=O)[O-])C(=N1)Cl

InChI

InChI=1S/C13H12ClN5O3/c1-6(2)12-15-11(14)9-10(17-18(3)13(9)16-12)7-4-5-8(22-7)19(20)21/h4-6H,1-3H3