3-methyl-8-(2-methylpropylamino)-7-phenacyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(2-methylpropylamino)-7-phenacyl-purine-2,6-dione Openeye Name: 8-(isobutylamino)-3-methyl-7-phenacyl-purine-2,6-dione CAS Name: 3-methyl-8-(2-methylpropylamino)-7-phenacylpurine-2,6-dione IUPAC Name: 3-methyl-8-(2-methylpropylamino)-7-phenacylpurine-2,6-dione Traditional Name: 8-(isobutylamino)-3-methyl-7-phenacyl-xanthine Formula: C18H21N5O3 MolecularWeight: 355.39104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC2=C(N1CC(=O)C3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)CNC1=NC2=C(N1CC(=O)C3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H21N5O3/c1-11(2)9-19-17-20-15-14(16(25)21-18(26)22(15)3)23(17)10-13(24)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,19,20)(H,21,25,26)