(5R)-7-azaniumyl-5-(4-bromophenyl)-6-cyano-4-oxidanylidene-3,5-dihydrothiopyrano[2,3-d]pyrimidin-2-olate

Systemtic Name: (5R)-7-azaniumyl-5-(4-bromophenyl)-6-cyano-4-oxidanylidene-3,5-dihydrothiopyrano[2,3-d]pyrimidin-2-olate Openeye Name: (5R)-7-azaniumyl-5-(4-bromophenyl)-6-cyano-4-oxo-3,5-dihydrothiopyrano[2,3-d]pyrimidin-2-olate CAS Name: (5R)-7-ammonio-5-(4-bromophenyl)-6-cyano-4-oxo-3,5-dihydrothiopyrano[2,3-d]pyrimidin-2-olate IUPAC Name: (5R)-7-azaniumyl-5-(4-bromophenyl)-6-cyano-4-oxo-3,5-dihydrothiopyrano[2,3-d]pyrimidin-2-olate Traditional Name: (5R)-7-ammonio-5-(4-bromophenyl)-6-cyano-4-keto-3,5-dihydrothiopyrano[2,3-d]pyrimidin-2-olate Formula: C14H9BrN4O2S MolecularWeight: 377.21586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C(=C(SC3=C2C(=O)NC(=N3)[O-])[NH3+])C#N)Br

Isomeric SMILES

C1=CC(=CC=C1[C@@H]2C(=C(SC3=C2C(=O)NC(=N3)[O-])[NH3+])C#N)Br

InChI

InChI=1S/C14H9BrN4O2S/c15-7-3-1-6(2-4-7)9-8(5-16)11(17)22-13-10(9)12(20)18-14(21)19-13/h1-4,9H,17H2,(H2,18,19,20,21)/t9-/m1/s1