1-methyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-methyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-methyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-methyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-methyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-methyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-one Formula: C15H13N5O5 MolecularWeight: 343.29422

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C15H13N5O5/c1-18-14-12(4-17-18)15(21)19(7-16-14)5-9-2-11(20(22)23)3-10-6-24-8-25-13(9)10/h2-4,7H,5-6,8H2,1H3