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

Systemtic Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(propylamino)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-methylallyl)-8-(propylamino)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(propylamino)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(propylamino)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-methylallyl)-8-(propylamino)xanthine Formula: C14H21N5O2 MolecularWeight: 291.34884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCNC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C14H21N5O2/c1-6-7-15-13-16-11-10(19(13)8-9(2)3)12(20)18(5)14(21)17(11)4/h2,6-8H2,1,3-5H3,(H,15,16)