DMPX

Molecular structure via molpic based on CDK

Conformer []
Conformer structure via 3Dmol.js
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Physical properties []
Molecular mass	218.21 g/mol [1]

Structural Identifiers []
Molecular formula	C10H10N4O2 [1]
IUPAC name	3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione [1]
SMILES	CN1C=NC2=C1C(=O)N(C(=O)N2C)CC#C [1]
InChI	InChI=1S/C10H10N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h1,6H,5H2,2-3H3 [1]
InChIKey	IORPOFJLSIHJOG-UHFFFAOYSA-N [1]

1-Propargyltheobromine

1-Propargyltheobromine (also known as 3,7-Dimethyl-1-propargylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(2-propyn-1-yl)-, 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(2-propynyl)-, Theobromine, 1-(2-propynyl)-, 634-261-2, 3,7-Dimethyl-1-(prop-2-yn-1-yl)-1H-purine-2,6(3H,7H)-dione, 3,7-Dimethyl-I-propargylxanthine, starbld0000258, Lopac-D-134 or Lopac0_000428) is a substance of the xanthine class.

Chemistry