8-bromanyl-1,3-dimethyl-7H-purine-2,6-dione; 1-phenylethanamine

Systemtic Name: 8-bromanyl-1,3-dimethyl-7H-purine-2,6-dione; 1-phenylethanamine Openeye Name: 8-bromo-1,3-dimethyl-7H-purine-2,6-dione; 1-phenylethanamine CAS Name: 8-bromo-1,3-dimethyl-7H-purine-2,6-dione; 1-phenylethanamine IUPAC Name: 8-bromo-1,3-dimethyl-7H-purine-2,6-dione; 1-phenylethanamine Traditional Name: 8-bromo-1,3-dimethyl-7H-purine-2,6-quinone; 1-phenylethylamine Formula: C15H18BrN5O2 MolecularWeight: 380.23972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11N.C7H7BrN4O2/c1-7(9)8-5-3-2-4-6-8;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h2-7H,9H2,1H3;1-2H3,(H,9,10)