8-azanyl-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-azanyl-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-amino-1,3-dimethyl-purine-2,6-dione CAS Name: 8-amino-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-amino-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-amino-1,3-dimethyl-xanthine Formula: C10H13N5O2 MolecularWeight: 235.24252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13N5O2/c1-4-5-15-6-7(12-9(15)11)13(2)10(17)14(3)8(6)16/h4H,1,5H2,2-3H3,(H2,11,12)