1-methyl-7-prop-2-ynyl-3H-purine-2,6-dione

Systemtic Name: 1-methyl-7-prop-2-ynyl-3H-purine-2,6-dione Openeye Name: 1-methyl-7-prop-2-ynyl-3H-purine-2,6-dione CAS Name: 1-methyl-7-prop-2-ynyl-3H-purine-2,6-dione IUPAC Name: 1-methyl-7-prop-2-ynyl-3H-purine-2,6-dione Traditional Name: 1-methyl-7-propargyl-xanthine Formula: C9H8N4O2 MolecularWeight: 204.18542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC1=O)N=CN2CC#C

Isomeric SMILES

CN1C(=O)C2=C(NC1=O)N=CN2CC#C

InChI

InChI=1S/C9H8N4O2/c1-3-4-13-5-10-7-6(13)8(14)12(2)9(15)11-7/h1,5H,4H2,2H3,(H,11,15)