3,7-dimethyl-1-prop-2-ynyl-9H-purine-2,6,8-trione

Systemtic Name: 3,7-dimethyl-1-prop-2-ynyl-9H-purine-2,6,8-trione Openeye Name: 3,7-dimethyl-1-prop-2-ynyl-9H-purine-2,6,8-trione CAS Name: 3,7-dimethyl-1-prop-2-ynyl-9H-purine-2,6,8-trione IUPAC Name: 3,7-dimethyl-1-prop-2-ynyl-9H-purine-2,6,8-trione Traditional Name: 3,7-dimethyl-1-propargyl-9H-purine-2,6,8-trione Formula: C10H10N4O3 MolecularWeight: 234.2114

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(NC1=O)N(C(=O)N(C2=O)CC#C)C

Isomeric SMILES

CN1C2=C(NC1=O)N(C(=O)N(C2=O)CC#C)C

InChI

InChI=1S/C10H10N4O3/c1-4-5-14-8(15)6-7(13(3)10(14)17)11-9(16)12(6)2/h1H,5H2,2-3H3,(H,11,16)