1,3,7-trimethyl-8-[(E)-prop-1-enyl]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[(E)-prop-1-enyl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[(E)-prop-1-enyl]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[(E)-prop-1-enyl]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[(E)-prop-1-enyl]purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[(E)-prop-1-enyl]xanthine Formula: C11H14N4O2 MolecularWeight: 234.25446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

C/C=C/C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C11H14N4O2/c1-5-6-7-12-9-8(13(7)2)10(16)15(4)11(17)14(9)3/h5-6H,1-4H3/b6-5+