2-[[5-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrazol-2-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrazol-2-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-2-tetrazolyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]methyl]-1H-quinazolin-4-one Formula: C17H12N6O3 MolecularWeight: 348.31558

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(N=N3)CC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(N=N3)CC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C17H12N6O3/c24-17-11-3-1-2-4-12(11)18-15(19-17)8-23-21-16(20-22-23)10-5-6-13-14(7-10)26-9-25-13/h1-7H,8-9H2,(H,18,19,24)