8-(2-bromoethylsulfanyl)-3-methyl-7-phenethyl-4,5-dihydropurine-2,6-dione

Systemtic Name: 8-(2-bromoethylsulfanyl)-3-methyl-7-phenethyl-4,5-dihydropurine-2,6-dione Openeye Name: 8-(2-bromoethylsulfanyl)-3-methyl-7-phenethyl-4,5-dihydropurine-2,6-dione CAS Name: 8-(2-bromoethylthio)-3-methyl-7-phenethyl-4,5-dihydropurine-2,6-dione IUPAC Name: 8-(2-bromoethylsulfanyl)-3-methyl-7-phenethyl-4,5-dihydropurine-2,6-dione Traditional Name: 8-(2-bromoethylthio)-3-methyl-7-phenethyl-4,5-dihydropurine-2,6-quinone Formula: C16H19BrN4O2S MolecularWeight: 411.31666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(C(=O)NC1=O)N(C(=N2)SCCBr)CCC3=CC=CC=C3

Isomeric SMILES

CN1C2C(C(=O)NC1=O)N(C(=N2)SCCBr)CCC3=CC=CC=C3

InChI

InChI=1S/C16H19BrN4O2S/c1-20-13-12(14(22)19-15(20)23)21(16(18-13)24-10-8-17)9-7-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,19,22,23)