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

Systemtic Name: 1,7-dimethyl-8-(methylamino)-3-prop-2-enyl-purine-2,6-dione Openeye Name: 3-allyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione CAS Name: 1,7-dimethyl-8-(methylamino)-3-prop-2-enylpurine-2,6-dione IUPAC Name: 1,7-dimethyl-8-(methylamino)-3-prop-2-enylpurine-2,6-dione Traditional Name: 3-allyl-1,7-dimethyl-8-(methylamino)xanthine Formula: C11H15N5O2 MolecularWeight: 249.2691

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(N1C)C(=O)N(C(=O)N2CC=C)C

Isomeric SMILES

CNC1=NC2=C(N1C)C(=O)N(C(=O)N2CC=C)C

InChI

InChI=1S/C11H15N5O2/c1-5-6-16-8-7(9(17)15(4)11(16)18)14(3)10(12-2)13-8/h5H,1,6H2,2-4H3,(H,12,13)