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

Systemtic Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(2-hydroxyethylamino)-1,3-dimethyl-xanthine Formula: C12H17N5O3 MolecularWeight: 279.29508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O3/c1-4-6-17-8-9(14-11(17)13-5-7-18)15(2)12(20)16(3)10(8)19/h4,18H,1,5-7H2,2-3H3,(H,13,14)