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

Systemtic Name: 3-(2H-1,2,3,4-tetrazol-5-yl)quinazolin-4-one trihydrate Openeye Name: 3-(2H-tetrazol-5-yl)quinazolin-4-one trihydrate CAS Name: 3-(2H-tetrazol-5-yl)-4-quinazolinone trihydrate IUPAC Name: 3-(2H-tetrazol-5-yl)quinazolin-4-one trihydrate Traditional Name: 3-(2H-tetrazol-5-yl)quinazolin-4-one trihydrate Formula: C9H12N6O4 MolecularWeight: 268.22938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N6O.3H2O/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);3*1H2