8-[[bis(3-methylbutyl)amino]methyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[[bis(3-methylbutyl)amino]methyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(diisopentylamino)methyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[[bis(3-methylbutyl)amino]methyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[[bis(3-methylbutyl)amino]methyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(diisoamylamino)methyl]-1,3,7-trimethyl-xanthine Formula: C19H33N5O2 MolecularWeight: 363.49762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCC(C)C)CC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)CCN(CCC(C)C)CC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H33N5O2/c1-13(2)8-10-24(11-9-14(3)4)12-15-20-17-16(21(15)5)18(25)23(7)19(26)22(17)6/h13-14H,8-12H2,1-7H3