1-(2-hydroxyethyl)-3-methyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 1-(2-hydroxyethyl)-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-1-(2-hydroxyethyl)-3-methyl-purine-2,6-dione CAS Name: 1-(2-hydroxyethyl)-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 1-(2-hydroxyethyl)-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1-(2-hydroxyethyl)-3-methyl-xanthine Formula: C11H14N4O3 MolecularWeight: 250.25386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4O3/c1-3-4-14-7-12-9-8(14)10(17)15(5-6-16)11(18)13(9)2/h3,7,16H,1,4-6H2,2H3