1,3-dimethyl-8-(phenethylamino)-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(phenethylamino)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-1,3-dimethyl-8-(phenethylamino)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(phenethylamino)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(phenethylamino)-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1,3-dimethyl-8-(phenethylamino)xanthine Formula: C18H21N5O2 MolecularWeight: 339.39164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CC=C

InChI

InChI=1S/C18H21N5O2/c1-4-12-23-14-15(21(2)18(25)22(3)16(14)24)20-17(23)19-11-10-13-8-6-5-7-9-13/h4-9H,1,10-12H2,2-3H3,(H,19,20)