8-(3-ethoxypropylamino)-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione

Systemtic Name: 8-(3-ethoxypropylamino)-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-(3-ethoxypropylamino)-1,3-dimethyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-(3-ethoxypropylamino)-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-(3-ethoxypropylamino)-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-(3-ethoxypropylamino)-1,3-dimethyl-7-(2-methylallyl)xanthine Formula: C16H25N5O3 MolecularWeight: 335.4014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCOCCCNC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C16H25N5O3/c1-6-24-9-7-8-17-15-18-13-12(21(15)10-11(2)3)14(22)20(5)16(23)19(13)4/h2,6-10H2,1,3-5H3,(H,17,18)