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

Systemtic Name: 5-(2-bromanyl-5-nitro-phenyl)-1,3-dimethyl-6-phenethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 5-(2-bromo-5-nitro-phenyl)-1,3-dimethyl-6-phenethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 5-(2-bromo-5-nitrophenyl)-1,3-dimethyl-6-phenethylpyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 5-(2-bromo-5-nitrophenyl)-1,3-dimethyl-6-phenethylpyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 5-(2-bromo-5-nitro-phenyl)-1,3-dimethyl-6-phenethyl-pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C22H19BrN4O4 MolecularWeight: 483.31466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=C(C=CC(=C3)[N+](=O)[O-])Br)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=C(C=CC(=C3)[N+](=O)[O-])Br)CCC4=CC=CC=C4

InChI

InChI=1S/C22H19BrN4O4/c1-24-18-13-26(11-10-14-6-4-3-5-7-14)20(19(18)21(28)25(2)22(24)29)16-12-15(27(30)31)8-9-17(16)23/h3-9,12-13H,10-11H2,1-2H3