8-(2-azanylethyl)-1,3-dimethyl-7-prop-2-ynyl-purine-2,6-dione

Systemtic Name: 8-(2-azanylethyl)-1,3-dimethyl-7-prop-2-ynyl-purine-2,6-dione Openeye Name: 8-(2-aminoethyl)-1,3-dimethyl-7-prop-2-ynyl-purine-2,6-dione CAS Name: 8-(2-aminoethyl)-1,3-dimethyl-7-prop-2-ynylpurine-2,6-dione IUPAC Name: 8-(2-aminoethyl)-1,3-dimethyl-7-prop-2-ynylpurine-2,6-dione Traditional Name: 8-(2-aminoethyl)-1,3-dimethyl-7-propargyl-xanthine Formula: C12H15N5O2 MolecularWeight: 261.2798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5O2/c1-4-7-17-8(5-6-13)14-10-9(17)11(18)16(3)12(19)15(10)2/h1H,5-7,13H2,2-3H3