2-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C13H9ClN4O3 MolecularWeight: 304.68856

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CN3C=C4C(=NC=NC4=O)N3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CN3C=C4C(=NC=NC4=O)N3)Cl

InChI

InChI=1S/C13H9ClN4O3/c14-9-2-11-10(20-6-21-11)1-7(9)3-18-4-8-12(17-18)15-5-16-13(8)19/h1-2,4-5H,3,6H2,(H,15,16,17,19)