8-(2-dimethylaminoethylamino)-3-methyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-(2-dimethylaminoethylamino)-3-methyl-purine-2,6-dione CAS Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(2-dimethylaminoethylamino)-3-methyl-xanthine Formula: C13H20N6O2 MolecularWeight: 292.3369

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN(C)C)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN(C)C)CC=C

InChI

InChI=1S/C13H20N6O2/c1-5-7-19-9-10(18(4)13(21)16-11(9)20)15-12(19)14-6-8-17(2)3/h5H,1,6-8H2,2-4H3,(H,14,15)(H,16,20,21)