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

Systemtic Name: 1-methyl-3-(2-methylpropyl)-7-prop-2-ynyl-purine-2,6-dione Openeye Name: 3-isobutyl-1-methyl-7-prop-2-ynyl-purine-2,6-dione CAS Name: 1-methyl-3-(2-methylpropyl)-7-prop-2-ynylpurine-2,6-dione IUPAC Name: 1-methyl-3-(2-methylpropyl)-7-prop-2-ynylpurine-2,6-dione Traditional Name: 3-isobutyl-1-methyl-7-propargyl-xanthine Formula: C13H16N4O2 MolecularWeight: 260.29174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC#C

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC#C

InChI

InChI=1S/C13H16N4O2/c1-5-6-16-8-14-11-10(16)12(18)15(4)13(19)17(11)7-9(2)3/h1,8-9H,6-7H2,2-4H3