6-nitro-7-sulfanyl-1H-quinazolin-4-one

Systemtic Name: 6-nitro-7-sulfanyl-1H-quinazolin-4-one Openeye Name: 6-nitro-7-sulfanyl-1H-quinazolin-4-one CAS Name: 7-mercapto-6-nitro-1H-quinazolin-4-one IUPAC Name: 6-nitro-7-sulfanyl-1H-quinazolin-4-one Traditional Name: 7-mercapto-6-nitro-1H-quinazolin-4-one Formula: C8H5N3O3S MolecularWeight: 223.2086

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1[N+](=O)[O-])S)NC=NC2=O

Isomeric SMILES

C1=C2C(=CC(=C1[N+](=O)[O-])S)NC=NC2=O

InChI

InChI=1S/C8H5N3O3S/c12-8-4-1-6(11(13)14)7(15)2-5(4)9-3-10-8/h1-3,15H,(H,9,10,12)