7-methyl-1,3-bis(prop-2-ynyl)purine-2,6-dione

Systemtic Name: 7-methyl-1,3-bis(prop-2-ynyl)purine-2,6-dione Openeye Name: 7-methyl-1,3-bis(prop-2-ynyl)purine-2,6-dione CAS Name: 7-methyl-1,3-bis(prop-2-ynyl)purine-2,6-dione IUPAC Name: 7-methyl-1,3-bis(prop-2-ynyl)purine-2,6-dione Traditional Name: 7-methyl-1,3-dipropargyl-xanthine Formula: C12H10N4O2 MolecularWeight: 242.2334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2CC#C)CC#C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2CC#C)CC#C

InChI

InChI=1S/C12H10N4O2/c1-4-6-15-10-9(14(3)8-13-10)11(17)16(7-5-2)12(15)18/h1-2,8H,6-7H2,3H3