7-[4-(dimethylamino)butyl]-1-methyl-3-propan-2-yl-purine-2,6-dione

Systemtic Name: 7-[4-(dimethylamino)butyl]-1-methyl-3-propan-2-yl-purine-2,6-dione Openeye Name: 7-[4-(dimethylamino)butyl]-3-isopropyl-1-methyl-purine-2,6-dione CAS Name: 7-[4-(dimethylamino)butyl]-1-methyl-3-propan-2-ylpurine-2,6-dione IUPAC Name: 7-[4-(dimethylamino)butyl]-1-methyl-3-propan-2-ylpurine-2,6-dione Traditional Name: 7-[4-(dimethylamino)butyl]-3-isopropyl-1-methyl-xanthine Formula: C15H25N5O2 MolecularWeight: 307.3913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCN(C)C

Isomeric SMILES

CC(C)N1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCN(C)C

InChI

InChI=1S/C15H25N5O2/c1-11(2)20-13-12(14(21)18(5)15(20)22)19(10-16-13)9-7-6-8-17(3)4/h10-11H,6-9H2,1-5H3