7-bromanyl-1,3-dimethyl-6-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-5H-pteridine-2,4-dione

Systemtic Name: 7-bromanyl-1,3-dimethyl-6-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-5H-pteridine-2,4-dione Openeye Name: 7-bromo-1,3-dimethyl-6-(4-oxocyclohexa-2,5-dien-1-ylidene)-5H-pteridine-2,4-dione CAS Name: 7-bromo-1,3-dimethyl-6-(4-oxo-1-cyclohexa-2,5-dienylidene)-5H-pteridine-2,4-dione IUPAC Name: 7-bromo-1,3-dimethyl-6-(4-oxocyclohexa-2,5-dien-1-ylidene)-5H-pteridine-2,4-dione Traditional Name: 7-bromo-6-(4-ketocyclohexa-2,5-dien-1-ylidene)-1,3-dimethyl-5H-pteridine-2,4-quinone Formula: C14H11BrN4O3 MolecularWeight: 363.16614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=C3C=CC(=O)C=C3)C(=N2)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=C3C=CC(=O)C=C3)C(=N2)Br

InChI

InChI=1S/C14H11BrN4O3/c1-18-12-10(13(21)19(2)14(18)22)16-9(11(15)17-12)7-3-5-8(20)6-4-7/h3-6,16H,1-2H3