1,3-dimethyl-8-piperazin-1-yl-7-prop-2-ynyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-piperazin-1-yl-7-prop-2-ynyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-piperazin-1-yl-7-prop-2-ynyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(1-piperazinyl)-7-prop-2-ynylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-piperazin-1-yl-7-prop-2-ynylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-piperazino-7-propargyl-xanthine Formula: C14H18N6O2 MolecularWeight: 302.33172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC#C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC#C

InChI

InChI=1S/C14H18N6O2/c1-4-7-20-10-11(17(2)14(22)18(3)12(10)21)16-13(20)19-8-5-15-6-9-19/h1,15H,5-9H2,2-3H3