3-(2H-1,2,3,4-tetrazol-5-yl)quinazolin-4-one hydrate

Systemtic Name: 3-(2H-1,2,3,4-tetrazol-5-yl)quinazolin-4-one hydrate Openeye Name: 3-(2H-tetrazol-5-yl)quinazolin-4-one hydrate CAS Name: 3-(2H-tetrazol-5-yl)-4-quinazolinone hydrate IUPAC Name: 3-(2H-tetrazol-5-yl)quinazolin-4-one hydrate Traditional Name: 3-(2H-tetrazol-5-yl)quinazolin-4-one hydrate Formula: C9H8N6O2 MolecularWeight: 232.19882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)C3=NNN=N3.O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)C3=NNN=N3.O

InChI

InChI=1S/C9H6N6O.H2O/c16-8-6-3-1-2-4-7(6)10-5-15(8)9-11-13-14-12-9;/h1-5H,(H,11,12,13,14);1H2