8-(6-bromanylpyridin-3-yl)-3-methyl-1-prop-2-ynyl-5,7-dihydro-4H-purine-2,6-dione

Systemtic Name: 8-(6-bromanylpyridin-3-yl)-3-methyl-1-prop-2-ynyl-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 8-(6-bromo-3-pyridyl)-3-methyl-1-prop-2-ynyl-5,7-dihydro-4H-purine-2,6-dione CAS Name: 8-(6-bromo-3-pyridinyl)-3-methyl-1-prop-2-ynyl-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 8-(6-bromopyridin-3-yl)-3-methyl-1-prop-2-ynyl-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 8-(6-bromo-3-pyridyl)-3-methyl-1-propargyl-5,7-dihydro-4H-purine-2,6-quinone Formula: C14H12BrN5O2 MolecularWeight: 362.18138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(C(=O)N(C1=O)CC#C)NC(=N2)C3=CN=C(C=C3)Br

Isomeric SMILES

CN1C2C(C(=O)N(C1=O)CC#C)NC(=N2)C3=CN=C(C=C3)Br

InChI

InChI=1S/C14H12BrN5O2/c1-3-6-20-13(21)10-12(19(2)14(20)22)18-11(17-10)8-4-5-9(15)16-7-8/h1,4-5,7,10,12H,6H2,2H3,(H,17,18)