3-azanyl-8-bromanyl-1-oxidanylidene-5,6-dihydro-4H-benzo[f]quinazoline-9-sulfinic acid

Systemtic Name: 3-azanyl-8-bromanyl-1-oxidanylidene-5,6-dihydro-4H-benzo[f]quinazoline-9-sulfinic acid Openeye Name: 3-amino-8-bromo-1-oxo-5,6-dihydro-4H-benzo[f]quinazoline-9-sulfinic acid CAS Name: 3-amino-8-bromo-1-oxo-5,6-dihydro-4H-benzo[f]quinazoline-9-sulfinic acid IUPAC Name: 3-amino-8-bromo-1-oxo-5,6-dihydro-4H-benzo[f]quinazoline-9-sulfinic acid Traditional Name: 3-amino-8-bromo-1-keto-5,6-dihydro-4H-benzo[f]quinazoline-9-sulfinic acid Formula: C12H10BrN3O3S MolecularWeight: 356.1951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC(=C(C=C31)Br)S(=O)O)C(=O)N=C(N2)N

Isomeric SMILES

C1CC2=C(C3=CC(=C(C=C31)Br)S(=O)O)C(=O)N=C(N2)N

InChI

InChI=1S/C12H10BrN3O3S/c13-7-3-5-1-2-8-10(11(17)16-12(14)15-8)6(5)4-9(7)20(18)19/h3-4H,1-2H2,(H,18,19)(H3,14,15,16,17)