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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2)CC#C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2)CC#C

InChI

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