4-(furan-2-yl)-1-[(4-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine

Systemtic Name: 4-(furan-2-yl)-1-[(4-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine Openeye Name: 4-(2-furyl)-1-[(4-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine CAS Name: 4-(2-furanyl)-1-[(4-nitrophenyl)methyl]-6-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 4-(furan-2-yl)-1-[(4-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine Traditional Name: [4-(2-furyl)-1-(4-nitrobenzyl)pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C16H12N6O3 MolecularWeight: 336.30488

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=C3C=NN(C3=NC(=N2)N)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)C2=C3C=NN(C3=NC(=N2)N)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O3/c17-16-19-14(13-2-1-7-25-13)12-8-18-21(15(12)20-16)9-10-3-5-11(6-4-10)22(23)24/h1-8H,9H2,(H2,17,19,20)