1-methyl-3-(5-nitrofuran-2-yl)-N-prop-2-enyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-methyl-3-(5-nitrofuran-2-yl)-N-prop-2-enyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-allyl-1-methyl-3-(5-nitro-2-furyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-methyl-3-(5-nitro-2-furanyl)-N-prop-2-enyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-methyl-3-(5-nitrofuran-2-yl)-N-prop-2-enylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: allyl-[1-methyl-3-(5-nitro-2-furyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C13H12N6O3 MolecularWeight: 300.27278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N6O3/c1-3-6-14-12-10-11(8-4-5-9(22-8)19(20)21)17-18(2)13(10)16-7-15-12/h3-5,7H,1,6H2,2H3,(H,14,15,16)