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

Systemtic Name: 4-(furan-2-yl)-1-[(2-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine Openeye Name: 4-(2-furyl)-1-[(2-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine CAS Name: 4-(2-furanyl)-1-[(2-nitrophenyl)methyl]-6-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 4-(furan-2-yl)-1-[(2-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine Traditional Name: [4-(2-furyl)-1-(2-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=CC=C(C(=C1)CN2C3=NC(=NC(=C3C=N2)C4=CC=CO4)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CN2C3=NC(=NC(=C3C=N2)C4=CC=CO4)N)[N+](=O)[O-]

InChI

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