3-(1,3-benzodioxol-5-yl)-2-phenyl-3,3a-dihydro-1H-pyrazolo[3,4-d]pyrimidine-4,6-dione

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-phenyl-3,3a-dihydro-1H-pyrazolo[3,4-d]pyrimidine-4,6-dione Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-phenyl-3,3a-dihydro-1H-pyrazolo[3,4-d]pyrimidine-4,6-dione CAS Name: 3-(1,3-benzodioxol-5-yl)-2-phenyl-3,3a-dihydro-1H-pyrazolo[3,4-d]pyrimidine-4,6-dione IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-phenyl-3,3a-dihydro-1H-pyrazolo[3,4-d]pyrimidine-4,6-dione Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-phenyl-3,3a-dihydro-1H-pyrazolo[3,4-d]pyrimidine-4,6-quinone Formula: C18H14N4O4 MolecularWeight: 350.32816

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3C4C(=NC(=O)NC4=O)NN3C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3C4C(=NC(=O)NC4=O)NN3C5=CC=CC=C5

InChI

InChI=1S/C18H14N4O4/c23-17-14-15(10-6-7-12-13(8-10)26-9-25-12)22(11-4-2-1-3-5-11)21-16(14)19-18(24)20-17/h1-8,14-15H,9H2,(H2,19,20,21,23,24)