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

Systemtic Name: 8-(ethylamino)-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-(ethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(ethylamino)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(ethylamino)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(ethylamino)-1,3-dimethyl-xanthine Formula: C12H17N5O2 MolecularWeight: 263.29568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(N1CC=C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCNC1=NC2=C(N1CC=C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C12H17N5O2/c1-5-7-17-8-9(14-11(17)13-6-2)15(3)12(19)16(4)10(8)18/h5H,1,6-7H2,2-4H3,(H,13,14)