5-(2-bromanyl-5-nitro-phenyl)-1,3-dimethyl-6-pentyl-pyrrolo[3,4-d]pyrimidine-2,4-dione

Systemtic Name: 5-(2-bromanyl-5-nitro-phenyl)-1,3-dimethyl-6-pentyl-pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 5-(2-bromo-5-nitro-phenyl)-1,3-dimethyl-6-pentyl-pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 5-(2-bromo-5-nitrophenyl)-1,3-dimethyl-6-pentylpyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 5-(2-bromo-5-nitrophenyl)-1,3-dimethyl-6-pentylpyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 6-amyl-5-(2-bromo-5-nitro-phenyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C19H21BrN4O4 MolecularWeight: 449.29844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=C2C(=C1C3=C(C=CC(=C3)[N+](=O)[O-])Br)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCN1C=C2C(=C1C3=C(C=CC(=C3)[N+](=O)[O-])Br)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H21BrN4O4/c1-4-5-6-9-23-11-15-16(18(25)22(3)19(26)21(15)2)17(23)13-10-12(24(27)28)7-8-14(13)20/h7-8,10-11H,4-6,9H2,1-3H3